N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C68H46N6 — CID 145327435

IUPACN-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc6c7cccc(-c8ccccc8)c7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6cn5)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H46N6/c1-6-17-47(18-7-1)50-33-39-57(40-34-50)73(58-41-35-51(36-42-58)48-19-8-2-9-20-48)59-43-37-52(38-44-59)49-29-31-54(32-30-49)63-45-62-61-28-16-27-60(53-21-10-3-11-22-53)65(61)74(64(62)46-69-63)68-71-66(55-23-12-4-13-24-55)70-67(72-68)56-25-14-5-15-26-56/h1-46H
InChIKeyHUMVSJFWGMBIMT-UHFFFAOYSA-N
MW947.16 g/mol
LogP17.50
Rot. Bonds11

About N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 145327435) has the molecular formula C68H46N6 and a molecular weight of 947.16 g/mol. Its IUPAC name is N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID145327435
Molecular FormulaC68H46N6
Molecular Weight947.16 g/mol
Exact Mass946.38
IUPAC NameN-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc6c7cccc(-c8ccccc8)c7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6cn5)cc4)cc3)cc2)cc1
InChIInChI=1S/C68H46N6/c1-6-17-47(18-7-1)50-33-39-57(40-34-50)73(58-41-35-51(36-42-58)48-19-8-2-9-20-48)59-43-37-52(38-44-59)49-29-31-54(32-30-49)63-45-62-61-28-16-27-60(53-21-10-3-11-22-53)65(61)74(64(62)46-69-63)68-71-66(55-23-12-4-13-24-55)70-67(72-68)56-25-14-5-15-26-56/h1-46H
InChIKeyHUMVSJFWGMBIMT-UHFFFAOYSA-N
XLogP17.50
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.16
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline
CID 118547581
N,N-diphenyl-2-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-4-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline
CID 159938048
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303271
4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline
CID 118550539
1,2,3,4-tetradeuterio-8-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275450
N,N-diphenyl-2-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-3-[3-[4-phenyl-6-[1-(3-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]aniline
CID 162064311
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
9-[4-[6-(2-carbazol-9-yl-5-phenylphenyl)-3-pyridinyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303351
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
1,2,3,4-tetradeuterio-9-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-(4-phenylphenyl)carbazole
CID 177275412
4-(9,9-dimethylfluoren-2-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142572202

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 145327435) is N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc6c7cccc(-c8ccccc8)c7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6cn5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is HUMVSJFWGMBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N6/c1-6-17-47(18-7-1)50-33-39-57(40-34-50)73(58-41-35-51(36-42-58)48-19-8-2-9-20-48)59-43-37-52(38-44-59)49-29-31-54(32-30-49)63-45-62-61-28-16-27-60(53-21-10-3-11-22-53)65(61)74(64(62)46-69-63)68-71-66(55-23-12-4-13-24-55)70-67(72-68)56-25-14-5-15-26-56/h1-46H.
What are the key properties of N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 947.16 g/mol, XLogP of 17.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylpyrido[3,4-b]indol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145327435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).