2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline

C339H212N14 — CID 159539270

IUPAC2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline
SMILESCC1(C)c2cc(-c3ccc4ccc5cccnc5c4n3)ccc2-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc21.CC1(C)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.c1cc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3-c3c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3cc(-c4ccc5ccc6cccnc6c5n4)ccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2-c2cc(-c3ccc4ccc5cccnc5c4n3)ccc21.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)nc12
InChIInChI=1S/C55H32N2.2C55H34N2.2C45H30N2.2C42H26N2/c1-2-13-40-38(11-1)39-12-3-4-14-41(39)45-30-35(21-25-42(40)45)36-22-26-50-46(31-36)47-32-37(52-28-24-34-20-19-33-10-9-29-56-53(33)54(34)57-52)23-27-51(47)55(50)48-17-7-5-15-43(48)44-16-6-8-18-49(44)55;1-3-14-39(15-4-1)55(40-16-5-2-6-17-40)49-23-11-22-41(37-26-29-46-44-20-8-7-18-42(44)43-19-9-10-21-45(43)48(46)33-37)52(49)47-30-27-38(34-50(47)55)51-31-28-36-25-24-35-13-12-32-56-53(35)54(36)57-51;1-3-13-40(14-4-1)55(41-15-5-2-6-16-41)50-28-24-38(37-23-27-46-44-19-8-7-17-42(44)43-18-9-10-20-45(43)47(46)32-37)33-48(50)49-34-39(25-29-51(49)55)52-30-26-36-22-21-35-12-11-31-56-53(35)54(36)57-52;1-45(2)39-15-7-14-31(29-18-21-36-34-12-4-3-10-32(34)33-11-5-6-13-35(33)38(36)25-29)42(39)37-22-19-30(26-40(37)45)41-23-20-28-17-16-27-9-8-24-46-43(27)44(28)47-41;1-45(2)40-21-17-30(29-15-19-36-34-11-4-3-9-32(34)33-10-5-6-12-35(33)38(36)24-29)25-39(40)37-20-16-31(26-41(37)45)42-22-18-28-14-13-27-8-7-23-46-43(27)44(28)47-42;1-2-12-36-34(10-1)35-11-3-4-13-37(35)39-26-32(20-22-38(36)39)28-16-14-27(15-17-28)31-7-5-8-33(25-31)40-23-21-30-19-18-29-9-6-24-43-41(29)42(30)44-40;1-2-9-36-34(7-1)35-8-3-4-10-37(35)39-26-33(21-23-38(36)39)29-13-11-27(12-14-29)28-15-17-30(18-16-28)40-24-22-32-20-19-31-6-5-25-43-41(31)42(32)44-40/h1-32H;2*1-34H;2*3-26H,1-2H3;2*1-26H
InChIKeyMDZIYCQNEBBMKN-UHFFFAOYSA-N
MW4481.52 g/mol
LogP88.05
Rot. Bonds20

About 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline

2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline (PubChem CID 159539270) has the molecular formula C339H212N14 and a molecular weight of 4481.52 g/mol. Its IUPAC name is 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline
PubChem CID159539270
Molecular FormulaC339H212N14
Molecular Weight4481.52 g/mol
Exact Mass4477.70
IUPAC Name2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline
SMILESCC1(C)c2cc(-c3ccc4ccc5cccnc5c4n3)ccc2-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc21.CC1(C)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.c1cc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3-c3c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3cc(-c4ccc5ccc6cccnc6c5n4)ccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2-c2cc(-c3ccc4ccc5cccnc5c4n3)ccc21.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)nc12
InChIInChI=1S/C55H32N2.2C55H34N2.2C45H30N2.2C42H26N2/c1-2-13-40-38(11-1)39-12-3-4-14-41(39)45-30-35(21-25-42(40)45)36-22-26-50-46(31-36)47-32-37(52-28-24-34-20-19-33-10-9-29-56-53(33)54(34)57-52)23-27-51(47)55(50)48-17-7-5-15-43(48)44-16-6-8-18-49(44)55;1-3-14-39(15-4-1)55(40-16-5-2-6-17-40)49-23-11-22-41(37-26-29-46-44-20-8-7-18-42(44)43-19-9-10-21-45(43)48(46)33-37)52(49)47-30-27-38(34-50(47)55)51-31-28-36-25-24-35-13-12-32-56-53(35)54(36)57-51;1-3-13-40(14-4-1)55(41-15-5-2-6-16-41)50-28-24-38(37-23-27-46-44-19-8-7-17-42(44)43-18-9-10-20-45(43)47(46)32-37)33-48(50)49-34-39(25-29-51(49)55)52-30-26-36-22-21-35-12-11-31-56-53(35)54(36)57-52;1-45(2)39-15-7-14-31(29-18-21-36-34-12-4-3-10-32(34)33-11-5-6-13-35(33)38(36)25-29)42(39)37-22-19-30(26-40(37)45)41-23-20-28-17-16-27-9-8-24-46-43(27)44(28)47-41;1-45(2)40-21-17-30(29-15-19-36-34-11-4-3-9-32(34)33-10-5-6-12-35(33)38(36)24-29)25-39(40)37-20-16-31(26-41(37)45)42-22-18-28-14-13-27-8-7-23-46-43(27)44(28)47-42;1-2-12-36-34(10-1)35-11-3-4-13-37(35)39-26-32(20-22-38(36)39)28-16-14-27(15-17-28)31-7-5-8-33(25-31)40-23-21-30-19-18-29-9-6-24-43-41(29)42(30)44-40;1-2-9-36-34(7-1)35-8-3-4-10-37(35)39-26-33(21-23-38(36)39)29-13-11-27(12-14-29)28-15-17-30(18-16-28)40-24-22-32-20-19-31-6-5-25-43-41(31)42(32)44-40/h1-32H;2*1-34H;2*3-26H,1-2H3;2*1-26H
InChIKeyMDZIYCQNEBBMKN-UHFFFAOYSA-N
XLogP88.05
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms353
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004481.52
LogP ≤ 588.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline with MolForge

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Related Compounds

2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline
CID 137395647
14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124284
14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129124156
2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine
CID 165099121
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158320128
2-[3-[4-[6-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168280
2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-phenanthren-9-yl-1,3,5-triazine;8-[4-(9,9-dimethylfluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]quinoline
CID 158661198
2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]pyridine
CID 157474525
4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 160580009
2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 138739023
10,10-diphenyl-21-[4-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 146231018
4-[9,9-dimethyl-7-[3-[9-(4-pyrimidin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]fluoren-3-yl]-9-(3-phenanthren-9-ylphenyl)-2-(3-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134175808

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline?
The IUPAC name of 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline (CID 159539270) is 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline is CC1(C)c2cc(-c3ccc4ccc5cccnc5c4n3)ccc2-c2c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc21.CC1(C)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.c1cc(-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(C2(c3ccccc3)c3cc(-c4ccc5ccc6cccnc6c5n4)ccc3-c3c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3cc(-c4ccc5ccc6cccnc6c5n4)ccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2-c2cc(-c3ccc4ccc5cccnc5c4n3)ccc21.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)nc12.
What is the InChIKey of 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline?
The InChIKey is MDZIYCQNEBBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N2.2C55H34N2.2C45H30N2.2C42H26N2/c1-2-13-40-38(11-1)39-12-3-4-14-41(39)45-30-35(21-25-42(40)45)36-22-26-50-46(31-36)47-32-37(52-28-24-34-20-19-33-10-9-29-56-53(33)54(34)57-52)23-27-51(47)55(50)48-17-7-5-15-43(48)44-16-6-8-18-49(44)55;1-3-14-39(15-4-1)55(40-16-5-2-6-17-40)49-23-11-22-41(37-26-29-46-44-20-8-7-18-42(44)43-19-9-10-21-45(43)48(46)33-37)52(49)47-30-27-38(34-50(47)55)51-31-28-36-25-24-35-13-12-32-56-53(35)54(36)57-51;1-3-13-40(14-4-1)55(41-15-5-2-6-16-41)50-28-24-38(37-23-27-46-44-19-8-7-17-42(44)43-18-9-10-20-45(43)47(46)32-37)33-48(50)49-34-39(25-29-51(49)55)52-30-26-36-22-21-35-12-11-31-56-53(35)54(36)57-52;1-45(2)39-15-7-14-31(29-18-21-36-34-12-4-3-10-32(34)33-11-5-6-13-35(33)38(36)25-29)42(39)37-22-19-30(26-40(37)45)41-23-20-28-17-16-27-9-8-24-46-43(27)44(28)47-41;1-45(2)40-21-17-30(29-15-19-36-34-11-4-3-9-32(34)33-10-5-6-12-35(33)38(36)24-29)25-39(40)37-20-16-31(26-41(37)45)42-22-18-28-14-13-27-8-7-23-46-43(27)44(28)47-42;1-2-12-36-34(10-1)35-11-3-4-13-37(35)39-26-32(20-22-38(36)39)28-16-14-27(15-17-28)31-7-5-8-33(25-31)40-23-21-30-19-18-29-9-6-24-43-41(29)42(30)44-40;1-2-9-36-34(7-1)35-8-3-4-10-37(35)39-26-33(21-23-38(36)39)29-13-11-27(12-14-29)28-15-17-30(18-16-28)40-24-22-32-20-19-31-6-5-25-43-41(31)42(32)44-40/h1-32H;2*1-34H;2*3-26H,1-2H3;2*1-26H.
What are the key properties of 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline?
2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline has a molecular weight of 4481.52 g/mol, XLogP of 88.05, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline is sourced from PubChem (CID 159539270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).