9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine

C422H296F8N8 — CID 159537514

IUPAC9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine
SMILESCC(C)(C)c1c2ccccc2c(C(C)(C)C)c2c3ccccc3c3ccccc3c12.CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3c4ccccc4c4ccccc4c23)cc1.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c5ccccc5c5ccccc5c34)cc21.Cc1c2ccccc2c(C)c2c3ccccc3c3ccccc3c12.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3c4ccccc4c4ccccc4c23)cc1.FC(F)(F)c1c2ccccc2c(C(F)(F)F)c2c3ccccc3c3ccccc3c12.Fc1c2ccccc2c(F)c2c3ccccc3c3ccccc3c12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccn3)c3c4ccccc4c4ccccc4c23)nc1.c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3c4ccccc4c4ccccc4c23)cc1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3c4ccccc4c4ccccc4c13)c1ccccc12.c1cnc(-c2c3ccccc3c(-c3ncccn3)c3c4ccccc4c4ccccc4c23)nc1
InChIInChI=1S/C52H38.C50H30.C46H32N2.C42H38.C36H26.C34H22.C32H20N2.C30H18N4.C30H30.C24H12F6.C24H18.C22H12F2/c1-51(2)43-23-13-11-17-35(43)37-27-25-31(29-45(37)51)47-41-21-9-10-22-42(41)48(32-26-28-38-36-18-12-14-24-44(36)52(3,4)46(38)30-32)50-40-20-8-6-16-34(40)33-15-5-7-19-39(33)49(47)50;1-3-17-33-31(15-1)29-45(39-23-7-5-19-35(33)39)47-43-27-13-14-28-44(43)48(46-30-32-16-2-4-18-34(32)36-20-6-8-24-40(36)46)50-42-26-12-10-22-38(42)37-21-9-11-25-41(37)49(47)50;1-5-19-33(20-6-1)47(34-21-7-2-8-22-34)45-41-31-17-18-32-42(41)46(48(35-23-9-3-10-24-35)36-25-11-4-12-26-36)44-40-30-16-14-28-38(40)37-27-13-15-29-39(37)43(44)45;1-41(2,3)29-23-19-27(20-24-29)37-35-17-11-12-18-36(35)38(28-21-25-30(26-22-28)42(4,5)6)40-34-16-10-8-14-32(34)31-13-7-9-15-33(31)39(37)40;1-23-15-19-25(20-16-23)33-31-13-7-8-14-32(31)34(26-21-17-24(2)18-22-26)36-30-12-6-4-10-28(30)27-9-3-5-11-29(27)35(33)36;1-3-13-23(14-4-1)31-29-21-11-12-22-30(29)32(24-15-5-2-6-16-24)34-28-20-10-8-18-26(28)25-17-7-9-19-27(25)33(31)34;1-3-13-23-21(11-1)22-12-2-4-14-24(22)32-30(28-18-8-10-20-34-28)26-16-6-5-15-25(26)29(31(23)32)27-17-7-9-19-33-27;1-3-11-21-19(9-1)20-10-2-4-12-22(20)26-25(21)27(29-31-15-7-16-32-29)23-13-5-6-14-24(23)28(26)30-33-17-8-18-34-30;1-29(2,3)27-23-17-11-12-18-24(23)28(30(4,5)6)26-22-16-10-8-14-20(22)19-13-7-9-15-21(19)25(26)27;25-23(26,27)21-17-11-5-6-12-18(17)22(24(28,29)30)20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)21;1-15-17-9-3-4-10-18(17)16(2)24-22-14-8-6-12-20(22)19-11-5-7-13-21(19)23(15)24;23-21-17-11-5-6-12-18(17)22(24)20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)21/h5-30H,1-4H3;1-30H;1-32H;7-26H,1-6H3;3-22H,1-2H3;1-22H;1-20H;1-18H;7-18H,1-6H3;1-12H;3-14H,1-2H3;1-12H
InChIKeyMDTXIGZFFWURGP-UHFFFAOYSA-N
MW5631.05 g/mol
LogP120.21
Rot. Bonds20

About 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine

9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine (PubChem CID 159537514) has the molecular formula C422H296F8N8 and a molecular weight of 5631.05 g/mol. Its IUPAC name is 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine.

Molecular Properties

Compound Name9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine
PubChem CID159537514
Molecular FormulaC422H296F8N8
Molecular Weight5631.05 g/mol
Exact Mass5626.33
IUPAC Name9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine
SMILESCC(C)(C)c1c2ccccc2c(C(C)(C)C)c2c3ccccc3c3ccccc3c12.CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3c4ccccc4c4ccccc4c23)cc1.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c5ccccc5c5ccccc5c34)cc21.Cc1c2ccccc2c(C)c2c3ccccc3c3ccccc3c12.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3c4ccccc4c4ccccc4c23)cc1.FC(F)(F)c1c2ccccc2c(C(F)(F)F)c2c3ccccc3c3ccccc3c12.Fc1c2ccccc2c(F)c2c3ccccc3c3ccccc3c12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccn3)c3c4ccccc4c4ccccc4c23)nc1.c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3c4ccccc4c4ccccc4c23)cc1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3c4ccccc4c4ccccc4c13)c1ccccc12.c1cnc(-c2c3ccccc3c(-c3ncccn3)c3c4ccccc4c4ccccc4c23)nc1
InChIInChI=1S/C52H38.C50H30.C46H32N2.C42H38.C36H26.C34H22.C32H20N2.C30H18N4.C30H30.C24H12F6.C24H18.C22H12F2/c1-51(2)43-23-13-11-17-35(43)37-27-25-31(29-45(37)51)47-41-21-9-10-22-42(41)48(32-26-28-38-36-18-12-14-24-44(36)52(3,4)46(38)30-32)50-40-20-8-6-16-34(40)33-15-5-7-19-39(33)49(47)50;1-3-17-33-31(15-1)29-45(39-23-7-5-19-35(33)39)47-43-27-13-14-28-44(43)48(46-30-32-16-2-4-18-34(32)36-20-6-8-24-40(36)46)50-42-26-12-10-22-38(42)37-21-9-11-25-41(37)49(47)50;1-5-19-33(20-6-1)47(34-21-7-2-8-22-34)45-41-31-17-18-32-42(41)46(48(35-23-9-3-10-24-35)36-25-11-4-12-26-36)44-40-30-16-14-28-38(40)37-27-13-15-29-39(37)43(44)45;1-41(2,3)29-23-19-27(20-24-29)37-35-17-11-12-18-36(35)38(28-21-25-30(26-22-28)42(4,5)6)40-34-16-10-8-14-32(34)31-13-7-9-15-33(31)39(37)40;1-23-15-19-25(20-16-23)33-31-13-7-8-14-32(31)34(26-21-17-24(2)18-22-26)36-30-12-6-4-10-28(30)27-9-3-5-11-29(27)35(33)36;1-3-13-23(14-4-1)31-29-21-11-12-22-30(29)32(24-15-5-2-6-16-24)34-28-20-10-8-18-26(28)25-17-7-9-19-27(25)33(31)34;1-3-13-23-21(11-1)22-12-2-4-14-24(22)32-30(28-18-8-10-20-34-28)26-16-6-5-15-25(26)29(31(23)32)27-17-7-9-19-33-27;1-3-11-21-19(9-1)20-10-2-4-12-22(20)26-25(21)27(29-31-15-7-16-32-29)23-13-5-6-14-24(23)28(26)30-33-17-8-18-34-30;1-29(2,3)27-23-17-11-12-18-24(23)28(30(4,5)6)26-22-16-10-8-14-20(22)19-13-7-9-15-21(19)25(26)27;25-23(26,27)21-17-11-5-6-12-18(17)22(24(28,29)30)20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)21;1-15-17-9-3-4-10-18(17)16(2)24-22-14-8-6-12-20(22)19-11-5-7-13-21(19)23(15)24;23-21-17-11-5-6-12-18(17)22(24)20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)21/h5-30H,1-4H3;1-30H;1-32H;7-26H,1-6H3;3-22H,1-2H3;1-22H;1-20H;1-18H;7-18H,1-6H3;1-12H;3-14H,1-2H3;1-12H
InChIKeyMDTXIGZFFWURGP-UHFFFAOYSA-N
XLogP120.21
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms438
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005631.05
LogP ≤ 5120.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine with MolForge

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Related Compounds

6-methyl-5-N-(3-pyrimidin-4-ylpyridin-2-yl)-5-N-[3-(trifluoromethyl)phenyl]isoquinoline-1,5-diamine
CID 24862754
CID 58731988
CID 58731988
6-[7-Quinazolin-6-yl-9,9-bis(trifluoromethyl)fluoren-2-yl]quinazoline
CID 59005116
9-[4-[3-[6-Phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole
CID 67949352
N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-pyrimidin-4-ylcarbazol-3-amine
CID 71174838
6-[6-(7-Fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole
CID 88886668
1-N,6-N-bis(9,9-dimethylfluoren-4-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798899
1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoro-2-pyridinyl)-6-N-phenylpyrene-1,6-diamine
CID 89799004
1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-2-ylpyrene-1,6-diamine
CID 89799006
1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-(3-fluoro-2-pyridinyl)-6-N-naphthalen-2-ylpyrene-1,6-diamine
CID 89799007
1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-4-ylpyrene-1,6-diamine
CID 89799008
1-N-(9,9-dimethylfluoren-4-yl)-1-N-(2-fluorophenyl)-6-N-phenyl-6-N-pyrimidin-5-ylpyrene-1,6-diamine
CID 89799009

Frequently Asked Questions

What is the IUPAC name of 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine?
The IUPAC name of 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine (CID 159537514) is 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine.
What is the SMILES notation for 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine?
The canonical SMILES for 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine is CC(C)(C)c1c2ccccc2c(C(C)(C)C)c2c3ccccc3c3ccccc3c12.CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3c4ccccc4c4ccccc4c23)cc1.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c5ccccc5c5ccccc5c34)cc21.Cc1c2ccccc2c(C)c2c3ccccc3c3ccccc3c12.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3c4ccccc4c4ccccc4c23)cc1.FC(F)(F)c1c2ccccc2c(C(F)(F)F)c2c3ccccc3c3ccccc3c12.Fc1c2ccccc2c(F)c2c3ccccc3c3ccccc3c12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccn3)c3c4ccccc4c4ccccc4c23)nc1.c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3c4ccccc4c4ccccc4c23)cc1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3c4ccccc4c4ccccc4c13)c1ccccc12.c1cnc(-c2c3ccccc3c(-c3ncccn3)c3c4ccccc4c4ccccc4c23)nc1.
What is the InChIKey of 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine?
The InChIKey is MDTXIGZFFWURGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38.C50H30.C46H32N2.C42H38.C36H26.C34H22.C32H20N2.C30H18N4.C30H30.C24H12F6.C24H18.C22H12F2/c1-51(2)43-23-13-11-17-35(43)37-27-25-31(29-45(37)51)47-41-21-9-10-22-42(41)48(32-26-28-38-36-18-12-14-24-44(36)52(3,4)46(38)30-32)50-40-20-8-6-16-34(40)33-15-5-7-19-39(33)49(47)50;1-3-17-33-31(15-1)29-45(39-23-7-5-19-35(33)39)47-43-27-13-14-28-44(43)48(46-30-32-16-2-4-18-34(32)36-20-6-8-24-40(36)46)50-42-26-12-10-22-38(42)37-21-9-11-25-41(37)49(47)50;1-5-19-33(20-6-1)47(34-21-7-2-8-22-34)45-41-31-17-18-32-42(41)46(48(35-23-9-3-10-24-35)36-25-11-4-12-26-36)44-40-30-16-14-28-38(40)37-27-13-15-29-39(37)43(44)45;1-41(2,3)29-23-19-27(20-24-29)37-35-17-11-12-18-36(35)38(28-21-25-30(26-22-28)42(4,5)6)40-34-16-10-8-14-32(34)31-13-7-9-15-33(31)39(37)40;1-23-15-19-25(20-16-23)33-31-13-7-8-14-32(31)34(26-21-17-24(2)18-22-26)36-30-12-6-4-10-28(30)27-9-3-5-11-29(27)35(33)36;1-3-13-23(14-4-1)31-29-21-11-12-22-30(29)32(24-15-5-2-6-16-24)34-28-20-10-8-18-26(28)25-17-7-9-19-27(25)33(31)34;1-3-13-23-21(11-1)22-12-2-4-14-24(22)32-30(28-18-8-10-20-34-28)26-16-6-5-15-25(26)29(31(23)32)27-17-7-9-19-33-27;1-3-11-21-19(9-1)20-10-2-4-12-22(20)26-25(21)27(29-31-15-7-16-32-29)23-13-5-6-14-24(23)28(26)30-33-17-8-18-34-30;1-29(2,3)27-23-17-11-12-18-24(23)28(30(4,5)6)26-22-16-10-8-14-20(22)19-13-7-9-15-21(19)25(26)27;25-23(26,27)21-17-11-5-6-12-18(17)22(24(28,29)30)20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)21;1-15-17-9-3-4-10-18(17)16(2)24-22-14-8-6-12-20(22)19-11-5-7-13-21(19)23(15)24;23-21-17-11-5-6-12-18(17)22(24)20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)21/h5-30H,1-4H3;1-30H;1-32H;7-26H,1-6H3;3-22H,1-2H3;1-22H;1-20H;1-18H;7-18H,1-6H3;1-12H;3-14H,1-2H3;1-12H.
What are the key properties of 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine?
9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine has a molecular weight of 5631.05 g/mol, XLogP of 120.21, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14-bis(4-tert-butylphenyl)benzo[b]triphenylene;9,14-bis(9,9-dimethylfluoren-2-yl)benzo[b]triphenylene;9,14-bis(4-methylphenyl)benzo[b]triphenylene;9,14-bis(trifluoromethyl)benzo[b]triphenylene;9,14-ditert-butylbenzo[b]triphenylene;9,14-difluorobenzo[b]triphenylene;9,14-dimethylbenzo[b]triphenylene;9,14-di(phenanthren-9-yl)benzo[b]triphenylene;9,14-diphenylbenzo[b]triphenylene;2-(9-pyridin-2-ylbenzo[b]triphenylen-14-yl)pyridine;2-(9-pyrimidin-2-ylbenzo[b]triphenylen-14-yl)pyrimidine;9-N,9-N,14-N,14-N-tetraphenylbenzo[b]triphenylene-9,14-diamine is sourced from PubChem (CID 159537514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).