9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine

C69H47N7 — CID 134236548

IUPAC9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)nc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C69H47N7/c1-7-24-48(25-8-1)56-38-23-39-57(49-26-9-2-10-27-49)66(56)67-70-68(75-62-40-21-19-36-58(62)60-46-54(42-44-64(60)75)73(50-28-11-3-12-29-50)51-30-13-4-14-31-51)72-69(71-67)76-63-41-22-20-37-59(63)61-47-55(43-45-65(61)76)74(52-32-15-5-16-33-52)53-34-17-6-18-35-53/h1-47H
InChIKeyWYJNCAVHGBPQLX-UHFFFAOYSA-N
MW974.18 g/mol
LogP18.01
Rot. Bonds11

About 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine

9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine (PubChem CID 134236548) has the molecular formula C69H47N7 and a molecular weight of 974.18 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine
PubChem CID134236548
Molecular FormulaC69H47N7
Molecular Weight974.18 g/mol
Exact Mass973.39
IUPAC Name9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)nc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C69H47N7/c1-7-24-48(25-8-1)56-38-23-39-57(49-26-9-2-10-27-49)66(56)67-70-68(75-62-40-21-19-36-58(62)60-46-54(42-44-64(60)75)73(50-28-11-3-12-29-50)51-30-13-4-14-31-51)72-69(71-67)76-63-41-22-20-37-59(63)61-47-55(43-45-65(61)76)74(52-32-15-5-16-33-52)53-34-17-6-18-35-53/h1-47H
InChIKeyWYJNCAVHGBPQLX-UHFFFAOYSA-N
XLogP18.01
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.18
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine
CID 134236546
3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275846
N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine
CID 134236708
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine
CID 126631752
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118506889
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 118506873
2-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;3-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline;4-[3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-N,N-diphenylaniline
CID 160661977

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine (CID 134236548) is 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine is c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)nc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is WYJNCAVHGBPQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N7/c1-7-24-48(25-8-1)56-38-23-39-57(49-26-9-2-10-27-49)66(56)67-70-68(75-62-40-21-19-36-58(62)60-46-54(42-44-64(60)75)73(50-28-11-3-12-29-50)51-30-13-4-14-31-51)72-69(71-67)76-63-41-22-20-37-59(63)61-47-55(43-45-65(61)76)74(52-32-15-5-16-33-52)53-34-17-6-18-35-53/h1-47H.
What are the key properties of 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine?
9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 974.18 g/mol, XLogP of 18.01, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 134236548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).