4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline

C52H35N7 — CID 90061264

IUPAC4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline
SMILESc1ccc(-n2ccc3cc4c(cc32)c2cc(-c3ccc(N(c5ccc(-c6ncccn6)cc5)c5ccc(-c6ncccn6)cc5)cc3)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C52H35N7/c1-3-9-41(10-4-1)57-32-27-40-34-50-47(35-49(40)57)46-33-39(19-26-48(46)59(50)42-11-5-2-6-12-42)36-13-20-43(21-14-36)58(44-22-15-37(16-23-44)51-53-28-7-29-54-51)45-24-17-38(18-25-45)52-55-30-8-31-56-52/h1-35H
InChIKeyZKURHYYUAJPCRQ-UHFFFAOYSA-N
MW757.90 g/mol
LogP12.78
Rot. Bonds8

About 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline

4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline (PubChem CID 90061264) has the molecular formula C52H35N7 and a molecular weight of 757.90 g/mol. Its IUPAC name is 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline
PubChem CID90061264
Molecular FormulaC52H35N7
Molecular Weight757.90 g/mol
Exact Mass757.30
IUPAC Name4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline
SMILESc1ccc(-n2ccc3cc4c(cc32)c2cc(-c3ccc(N(c5ccc(-c6ncccn6)cc5)c5ccc(-c6ncccn6)cc5)cc3)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C52H35N7/c1-3-9-41(10-4-1)57-32-27-40-34-50-47(35-49(40)57)46-33-39(19-26-48(46)59(50)42-11-5-2-6-12-42)36-13-20-43(21-14-36)58(44-22-15-37(16-23-44)51-53-28-7-29-54-51)45-24-17-38(18-25-45)52-55-30-8-31-56-52/h1-35H
InChIKeyZKURHYYUAJPCRQ-UHFFFAOYSA-N
XLogP12.78
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.90
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline with MolForge

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Related Compounds

N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline
CID 90060850
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 160663062
1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine
CID 90060886
N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-dimethyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 162213151
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
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
3,9-diphenyl-N,N-bis(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 160761168
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
CID 163848012
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
4-[N-[4-[(1E,3Z)-1-aminopenta-1,3-dien-2-yl]phenyl]-4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)anilino]benzenecarboximidamide
CID 144573862

Frequently Asked Questions

What is the IUPAC name of 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline?
The IUPAC name of 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline (CID 90061264) is 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline.
What is the SMILES notation for 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline?
The canonical SMILES for 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline is c1ccc(-n2ccc3cc4c(cc32)c2cc(-c3ccc(N(c5ccc(-c6ncccn6)cc5)c5ccc(-c6ncccn6)cc5)cc3)ccc2n4-c2ccccc2)cc1.
What is the InChIKey of 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline?
The InChIKey is ZKURHYYUAJPCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N7/c1-3-9-41(10-4-1)57-32-27-40-34-50-47(35-49(40)57)46-33-39(19-26-48(46)59(50)42-11-5-2-6-12-42)36-13-20-43(21-14-36)58(44-22-15-37(16-23-44)51-53-28-7-29-54-51)45-24-17-38(18-25-45)52-55-30-8-31-56-52/h1-35H.
What are the key properties of 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline?
4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline has a molecular weight of 757.90 g/mol, XLogP of 12.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)-N,N-bis(4-pyrimidin-2-ylphenyl)aniline is sourced from PubChem (CID 90061264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).