N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline

C53H36N6 — CID 90061020

IUPACN-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)cc3)c3ccc(-c4ncncn4)cc3)cc2)cc1
InChIInChI=1S/C53H36N6/c1-4-10-37(11-5-1)38-16-24-45(25-17-38)58(47-28-20-41(21-29-47)53-55-35-54-36-56-53)46-26-18-39(19-27-46)42-23-31-50-49(34-42)48-30-22-40-32-33-57(43-12-6-2-7-13-43)51(40)52(48)59(50)44-14-8-3-9-15-44/h1-36H
InChIKeyGXYKBZSQLYZLJD-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.38
Rot. Bonds8

About N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline

N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline (PubChem CID 90061020) has the molecular formula C53H36N6 and a molecular weight of 756.91 g/mol. Its IUPAC name is N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline
PubChem CID90061020
Molecular FormulaC53H36N6
Molecular Weight756.91 g/mol
Exact Mass756.30
IUPAC NameN-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)cc3)c3ccc(-c4ncncn4)cc3)cc2)cc1
InChIInChI=1S/C53H36N6/c1-4-10-37(11-5-1)38-16-24-45(25-17-38)58(47-28-20-41(21-29-47)53-55-35-54-36-56-53)46-26-18-39(19-27-46)42-23-31-50-49(34-42)48-30-22-40-32-33-57(43-12-6-2-7-13-43)51(40)52(48)59(50)44-14-8-3-9-15-44/h1-36H
InChIKeyGXYKBZSQLYZLJD-UHFFFAOYSA-N
XLogP13.38
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,10-diphenyl-N-(4-pyrimidin-2-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine
CID 90061123
1,10-diphenyl-N,N-bis(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine;1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine;1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-[4-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-a]carbazol-7-amine
CID 159420753
1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine
CID 90060886
N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 161428422
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diphenylpyrrolo[2,3-a]carbazole
CID 123652217
4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline
CID 90060850
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline
CID 90061264
9-(4-methylphenyl)-N-phenyl-N-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
CID 118316091
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315164
N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315166

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline?
The IUPAC name of N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline (CID 90061020) is N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline?
The canonical SMILES for N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)cc3)c3ccc(-c4ncncn4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline?
The InChIKey is GXYKBZSQLYZLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N6/c1-4-10-37(11-5-1)38-16-24-45(25-17-38)58(47-28-20-41(21-29-47)53-55-35-54-36-56-53)46-26-18-39(19-27-46)42-23-31-50-49(34-42)48-30-22-40-32-33-57(43-12-6-2-7-13-43)51(40)52(48)59(50)44-14-8-3-9-15-44/h1-36H.
What are the key properties of N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline?
N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline has a molecular weight of 756.91 g/mol, XLogP of 13.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]aniline is sourced from PubChem (CID 90061020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).