2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C147H98N8 — CID 158773393

IUPAC2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C53H34N2.C51H33N5.C43H31N/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-33-37(28-30-48(44)56)36-27-29-47-43(32-36)41-23-10-12-25-45(41)55(47)39-20-8-3-9-21-39;1-5-15-34(16-6-1)43(35-17-7-2-8-18-35)41-24-14-13-23-39(41)40-31-33(27-30-42(40)43)32-25-28-38(29-26-32)44(36-19-9-3-10-20-36)37-21-11-4-12-22-37/h1-34H;1-33H;1-31H
InChIKeyIQDUPXURMOKNFL-UHFFFAOYSA-N
MW1976.46 g/mol
LogP38.23
Rot. Bonds17

About 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 158773393) has the molecular formula C147H98N8 and a molecular weight of 1976.46 g/mol. Its IUPAC name is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID158773393
Molecular FormulaC147H98N8
Molecular Weight1976.46 g/mol
Exact Mass1974.79
IUPAC Name2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C53H34N2.C51H33N5.C43H31N/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-33-37(28-30-48(44)56)36-27-29-47-43(32-36)41-23-10-12-25-45(41)55(47)39-20-8-3-9-21-39;1-5-15-34(16-6-1)43(35-17-7-2-8-18-35)41-24-14-13-23-39(41)40-31-33(27-30-42(40)43)32-25-28-38(29-26-32)44(36-19-9-3-10-20-36)37-21-11-4-12-22-37/h1-34H;1-33H;1-31H
InChIKeyIQDUPXURMOKNFL-UHFFFAOYSA-N
XLogP38.23
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001976.46
LogP ≤ 538.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole with MolForge

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Related Compounds

N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 161161453
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 130452555
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 166565681
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166566306
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160980279
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,10-dinaphthalen-1-ylanthracene;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;1-N-(4-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 162146574
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 134488038
9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58963335
9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161384283
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 160503630

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 158773393) is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is IQDUPXURMOKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2.C51H33N5.C43H31N/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-19-14-22-40(31-38)56-46-26-13-11-24-42(46)44-33-37(28-30-48(44)56)36-27-29-47-43(32-36)41-23-10-12-25-45(41)55(47)39-20-8-3-9-21-39;1-5-15-34(16-6-1)43(35-17-7-2-8-18-35)41-24-14-13-23-39(41)40-31-33(27-30-42(40)43)32-25-28-38(29-26-32)44(36-19-9-3-10-20-36)37-21-11-4-12-22-37/h1-34H;1-33H;1-31H.
What are the key properties of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1976.46 g/mol, XLogP of 38.23, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 158773393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).