4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline

C272H171N15O5 — CID 157186330

IUPAC4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline
SMILESC=CC1=C(C=C)C2(c3ccccc3O1)c1cc(-c3cc(-c4cccc5ccccc45)nc(-c4ccccc4)n3)ccc1-c1ccc(-c3cncc4ccccc34)cc12.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7ccncc67)ccc4-5)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6cccc7ncccc67)cc5)ccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6ccnc7ccccc67)cc5)ccc3-4)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cccc6cnccc56)ccc3-4)n2)cc1
InChIInChI=1S/3C56H35N3O.C54H35N3O.C50H31N3O/c1-3-13-38(14-4-1)51-35-52(39-15-5-2-6-16-39)59-55(58-51)41-28-30-44-43-29-27-40(36-23-25-37(26-24-36)42-31-32-57-50-20-10-7-17-45(42)50)33-48(43)56(49(44)34-41)46-18-8-11-21-53(46)60-54-22-12-9-19-47(54)56;1-3-13-38(14-4-1)51-35-52(59-55(58-51)39-15-5-2-6-16-39)41-29-31-44-43-30-28-40(36-24-26-37(27-25-36)42-17-11-21-50-45(42)18-12-32-57-50)33-48(43)56(49(44)34-41)46-19-7-9-22-53(46)60-54-23-10-8-20-47(54)56;1-3-12-38(13-4-1)51-34-52(59-55(58-51)40-14-5-2-6-15-40)39-24-22-36(23-25-39)41-26-28-44-45-29-27-42(43-17-11-16-37-30-31-57-35-46(37)43)33-50(45)56(49(44)32-41)47-18-7-9-20-53(47)60-54-21-10-8-19-48(54)56;1-3-45-51(4-2)58-52-24-13-12-23-46(52)54(45)47-29-36(44-33-55-32-38-18-9-11-21-40(38)44)25-27-41(47)42-28-26-37(30-48(42)54)49-31-50(57-53(56-49)35-16-6-5-7-17-35)43-22-14-19-34-15-8-10-20-39(34)43;1-3-12-32(13-4-1)45-30-46(33-14-5-2-6-15-33)53-49(52-45)35-23-25-40-39-24-22-34(37-17-11-16-36-31-51-27-26-38(36)37)28-43(39)50(44(40)29-35)41-18-7-9-20-47(41)54-48-21-10-8-19-42(48)50/h3*1-35H;3-33H,1-2H2;1-31H
InChIKeyAPDWBBMFNWDHBT-UHFFFAOYSA-N
MW3729.46 g/mol
LogP66.83
Rot. Bonds25

About 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline

4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline (PubChem CID 157186330) has the molecular formula C272H171N15O5 and a molecular weight of 3729.46 g/mol. Its IUPAC name is 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline
PubChem CID157186330
Molecular FormulaC272H171N15O5
Molecular Weight3729.46 g/mol
Exact Mass3726.36
IUPAC Name4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline
SMILESC=CC1=C(C=C)C2(c3ccccc3O1)c1cc(-c3cc(-c4cccc5ccccc45)nc(-c4ccccc4)n3)ccc1-c1ccc(-c3cncc4ccccc34)cc12.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7ccncc67)ccc4-5)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6cccc7ncccc67)cc5)ccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6ccnc7ccccc67)cc5)ccc3-4)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cccc6cnccc56)ccc3-4)n2)cc1
InChIInChI=1S/3C56H35N3O.C54H35N3O.C50H31N3O/c1-3-13-38(14-4-1)51-35-52(39-15-5-2-6-16-39)59-55(58-51)41-28-30-44-43-29-27-40(36-23-25-37(26-24-36)42-31-32-57-50-20-10-7-17-45(42)50)33-48(43)56(49(44)34-41)46-18-8-11-21-53(46)60-54-22-12-9-19-47(54)56;1-3-13-38(14-4-1)51-35-52(59-55(58-51)39-15-5-2-6-16-39)41-29-31-44-43-30-28-40(36-24-26-37(27-25-36)42-17-11-21-50-45(42)18-12-32-57-50)33-48(43)56(49(44)34-41)46-19-7-9-22-53(46)60-54-23-10-8-20-47(54)56;1-3-12-38(13-4-1)51-34-52(59-55(58-51)40-14-5-2-6-15-40)39-24-22-36(23-25-39)41-26-28-44-45-29-27-42(43-17-11-16-37-30-31-57-35-46(37)43)33-50(45)56(49(44)32-41)47-18-7-9-20-53(47)60-54-21-10-8-19-48(54)56;1-3-45-51(4-2)58-52-24-13-12-23-46(52)54(45)47-29-36(44-33-55-32-38-18-9-11-21-40(38)44)25-27-41(47)42-28-26-37(30-48(42)54)49-31-50(57-53(56-49)35-16-6-5-7-17-35)43-22-14-19-34-15-8-10-20-39(34)43;1-3-12-32(13-4-1)45-30-46(33-14-5-2-6-15-33)53-49(52-45)35-23-25-40-39-24-22-34(37-17-11-16-36-31-51-27-26-38(36)37)28-43(39)50(44(40)29-35)41-18-7-9-20-47(41)54-48-21-10-8-19-42(48)50/h3*1-35H;3-33H,1-2H2;1-31H
InChIKeyAPDWBBMFNWDHBT-UHFFFAOYSA-N
XLogP66.83
TPSA239.50 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003729.46
LogP ≤ 566.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline with MolForge

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Related Compounds

2-[3-[3'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
CID 155305591
2-(3,5-Diphenylphenyl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3'-[2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine;2,4-diphenyl-6-[2-[4-phenyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1,3,5-triazine;4-[2-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]-2,6-diphenylpyrimidine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-methylphenyl)-5'-phenylspiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine;4-[3-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylspiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 157570481
(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;2-isocyano-2-[2-methyl-3,6-di(quinazolin-2-yl)-7-(trifluoromethoxy)-9H-fluoren-9-yl]acetonitrile
CID 157927826
2-[3-[3-(9,9-Dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 158355978
9-(4-methylphenyl)-9-phenyl-N,N-bis(4-phenylphenyl)-7-pyridin-3-ylfluoren-4-amine;9-(4-methylphenyl)-9-phenyl-N,N-bis(4-phenylphenyl)-7-pyrimidin-5-ylfluoren-4-amine;9-methyl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;9-naphthalen-1-yl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)-9-[3-(2-phenylpyrimidin-4-yl)phenyl]fluoren-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trifluoromethoxy)phenyl]fluoren-3-amine
CID 158384592
2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-fluoranthen-8-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;5-phenyl-2-spiro[fluorene-9,9'-xanthene]-2'-ylquinoxaline;9-[4-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2-spiro[fluorene-9,9'-xanthene]-2'-ylquinoxaline
CID 159450050
2-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-trimethylpyrimidine;12,12-dimethyl-11-[3-(4,5,6-trimethylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,5,6-trimethylpyrimidine;4-[4-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-2,5,6-trimethylpyrimidine
CID 159640647
(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-di(quinoxalin-2-yl)-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile
CID 161097889
7,7-dimethyl-5-N,9-N-bis(6-methyl-2-pyridinyl)-5-N,9-N-dinaphthalen-1-ylbenzo[c]fluorene-5,9-diamine;7,7-dimethyl-5-N,9-N-dinaphthalen-1-yl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine;7,7-dimethyl-5-N,9-N-dinaphthalen-1-yl-5-N,9-N-dipyridin-3-ylbenzo[c]fluorene-5,9-diamine;9-N-(4-methoxyphenyl)-7,7-dimethyl-5-N,9-N-dinaphthalen-1-yl-5-N-[4-(trifluoromethoxy)phenyl]benzo[c]fluorene-5,9-diamine;N-naphthalen-1-yl-N-[3-[2-[4-[naphthalen-1-yl(pyridin-4-yl)amino]naphthalen-2-yl]propan-2-yl]phenyl]pyridin-4-amine
CID 161249155
2-[3-(4-Methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
CID 161369513
2-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,5,6-triphenylpyrimidine;2-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,5,6-triphenylpyrimidine;4-phenyl-2-[4-(4-phenylphenyl)phenyl]phenanthro[9,10-d]pyrimidine
CID 161844417
2-[7-[7-[6-(6-Tert-butylnaphthalen-2-yl)naphthalen-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethylfluoren-2-yl]quinoline;1-[7-[9,9-dimethyl-7-[6-(7-methylnaphthalen-2-yl)naphthalen-2-yl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]isoquinoline;2-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]benzo[h]quinoline;5-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]quinoxaline;2-[7-[7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-1,8-naphthyridine
CID 161908213

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline?
The IUPAC name of 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline (CID 157186330) is 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline.
What is the SMILES notation for 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline?
The canonical SMILES for 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline is C=CC1=C(C=C)C2(c3ccccc3O1)c1cc(-c3cc(-c4cccc5ccccc45)nc(-c4ccccc4)n3)ccc1-c1ccc(-c3cncc4ccccc34)cc12.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6cccc7ccncc67)ccc4-5)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6cccc7ncccc67)cc5)ccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc(-c6ccnc7ccccc67)cc5)ccc3-4)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cccc6cnccc56)ccc3-4)n2)cc1.
What is the InChIKey of 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline?
The InChIKey is APDWBBMFNWDHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H35N3O.C54H35N3O.C50H31N3O/c1-3-13-38(14-4-1)51-35-52(39-15-5-2-6-16-39)59-55(58-51)41-28-30-44-43-29-27-40(36-23-25-37(26-24-36)42-31-32-57-50-20-10-7-17-45(42)50)33-48(43)56(49(44)34-41)46-18-8-11-21-53(46)60-54-22-12-9-19-47(54)56;1-3-13-38(14-4-1)51-35-52(59-55(58-51)39-15-5-2-6-16-39)41-29-31-44-43-30-28-40(36-24-26-37(27-25-36)42-17-11-21-50-45(42)18-12-32-57-50)33-48(43)56(49(44)34-41)46-19-7-9-22-53(46)60-54-23-10-8-20-47(54)56;1-3-12-38(13-4-1)51-34-52(59-55(58-51)40-14-5-2-6-15-40)39-24-22-36(23-25-39)41-26-28-44-45-29-27-42(43-17-11-16-37-30-31-57-35-46(37)43)33-50(45)56(49(44)32-41)47-18-7-9-20-53(47)60-54-21-10-8-19-48(54)56;1-3-45-51(4-2)58-52-24-13-12-23-46(52)54(45)47-29-36(44-33-55-32-38-18-9-11-21-40(38)44)25-27-41(47)42-28-26-37(30-48(42)54)49-31-50(57-53(56-49)35-16-6-5-7-17-35)43-22-14-19-34-15-8-10-20-39(34)43;1-3-12-32(13-4-1)45-30-46(33-14-5-2-6-15-33)53-49(52-45)35-23-25-40-39-24-22-34(37-17-11-16-36-31-51-27-26-38(36)37)28-43(39)50(44(40)29-35)41-18-7-9-20-47(41)54-48-21-10-8-19-42(48)50/h3*1-35H;3-33H,1-2H2;1-31H.
What are the key properties of 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline?
4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline has a molecular weight of 3729.46 g/mol, XLogP of 66.83, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis(ethenyl)-7'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[chromene-4,9'-fluorene]-2'-yl]isoquinoline;8-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;5-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline;4-[4-[7-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline;5-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]quinoline is sourced from PubChem (CID 157186330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).