5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole

C297H196N22S — CID 158036624

IUPAC5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)nc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)n5)c4)c3cc21.c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C67H47N3.4C46H30N4.C46H29N3S/c1-67(2)60-34-11-9-32-56(60)58-41-59-57-33-10-12-35-64(57)70(65(59)42-61(58)67)55-31-17-29-53(40-55)63-43-62(52-28-15-26-50(38-52)48-24-13-22-46(36-48)44-18-5-3-6-19-44)68-66(69-63)54-30-16-27-51(39-54)49-25-14-23-47(37-49)45-20-7-4-8-21-45;1-4-16-31(17-5-1)39-30-40(32-18-6-2-7-19-32)48-46(47-39)38-24-12-15-27-43(38)50-42-26-14-11-23-35(42)37-29-28-36-34-22-10-13-25-41(34)49(44(36)45(37)50)33-20-8-3-9-21-33;1-4-15-31(16-5-1)40-29-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-29-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-30-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34;1-4-14-30(15-5-1)33-26-34(40-29-39(31-16-6-2-7-17-31)47-46(48-40)32-18-8-3-9-19-32)28-35(27-33)49-41-22-12-10-20-36(41)37-24-25-43-44(45(37)49)38-21-11-13-23-42(38)50-43/h3-43H,1-2H3;4*1-30H;1-29H
InChIKeyFHVDPOMKMRNTGO-UHFFFAOYSA-N
MW4105.06 g/mol
LogP76.85
Rot. Bonds33

About 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole

5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 158036624) has the molecular formula C297H196N22S and a molecular weight of 4105.06 g/mol. Its IUPAC name is 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID158036624
Molecular FormulaC297H196N22S
Molecular Weight4105.06 g/mol
Exact Mass4101.57
IUPAC Name5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)nc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)n5)c4)c3cc21.c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C67H47N3.4C46H30N4.C46H29N3S/c1-67(2)60-34-11-9-32-56(60)58-41-59-57-33-10-12-35-64(57)70(65(59)42-61(58)67)55-31-17-29-53(40-55)63-43-62(52-28-15-26-50(38-52)48-24-13-22-46(36-48)44-18-5-3-6-19-44)68-66(69-63)54-30-16-27-51(39-54)49-25-14-23-47(37-49)45-20-7-4-8-21-45;1-4-16-31(17-5-1)39-30-40(32-18-6-2-7-19-32)48-46(47-39)38-24-12-15-27-43(38)50-42-26-14-11-23-35(42)37-29-28-36-34-22-10-13-25-41(34)49(44(36)45(37)50)33-20-8-3-9-21-33;1-4-15-31(16-5-1)40-29-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-29-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-30-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34;1-4-14-30(15-5-1)33-26-34(40-29-39(31-16-6-2-7-17-31)47-46(48-40)32-18-8-3-9-19-32)28-35(27-33)49-41-22-12-10-20-36(41)37-24-25-43-44(45(37)49)38-21-11-13-23-42(38)50-43/h3-43H,1-2H3;4*1-30H;1-29H
InChIKeyFHVDPOMKMRNTGO-UHFFFAOYSA-N
XLogP76.85
TPSA203.98 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004105.06
LogP ≤ 576.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[2,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159514496
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
5-[4-dibenzothiophen-1-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327255
12-[3-[4-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-6-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[3-[6-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[3-[2,6-bis[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158286176
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126630697
7,7-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole;3-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;9-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 161246000
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
9-carbazol-9-yl-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;10-carbazol-9-yl-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;11-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-a]carbazole;12-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158448773
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494
15-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459489
12-[3-[2,6-bis[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 126630823
12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 157483474

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole (CID 158036624) is 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)nc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)n5)c4)c3cc21.c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is FHVDPOMKMRNTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N3.4C46H30N4.C46H29N3S/c1-67(2)60-34-11-9-32-56(60)58-41-59-57-33-10-12-35-64(57)70(65(59)42-61(58)67)55-31-17-29-53(40-55)63-43-62(52-28-15-26-50(38-52)48-24-13-22-46(36-48)44-18-5-3-6-19-44)68-66(69-63)54-30-16-27-51(39-54)49-25-14-23-47(37-49)45-20-7-4-8-21-45;1-4-16-31(17-5-1)39-30-40(32-18-6-2-7-19-32)48-46(47-39)38-24-12-15-27-43(38)50-42-26-14-11-23-35(42)37-29-28-36-34-22-10-13-25-41(34)49(44(36)45(37)50)33-20-8-3-9-21-33;1-4-15-31(16-5-1)40-29-41(48-46(47-40)32-17-6-2-7-18-32)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-29-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34;1-4-15-31(16-5-1)40-30-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(29-33)50-43-26-13-11-24-37(43)39-28-27-38-36-23-10-12-25-42(36)49(44(38)45(39)50)34-20-8-3-9-21-34;1-4-14-30(15-5-1)33-26-34(40-29-39(31-16-6-2-7-17-31)47-46(48-40)32-18-8-3-9-19-32)28-35(27-33)49-41-22-12-10-20-36(41)37-24-25-43-44(45(37)49)38-21-11-13-23-42(38)50-43/h3-43H,1-2H3;4*1-30H;1-29H.
What are the key properties of 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 4105.06 g/mol, XLogP of 76.85, 33 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2,6-bis[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 158036624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).