9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine

C51H36N4 — CID 118315164

IUPAC9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7ccn(-c8ccccc8)c7c65)cc4)ccc32)cc1
InChIInChI=1S/C51H36N4/c1-35-20-23-40(24-21-35)54-47-18-10-9-17-44(47)46-34-42(29-31-49(46)54)53(38-14-6-3-7-15-38)39-25-27-41(28-26-39)55-48-19-11-8-16-43(48)45-30-22-36-32-33-52(50(36)51(45)55)37-12-4-2-5-13-37/h2-34H,1H3
InChIKeyAMRLXIPXNJPGSV-UHFFFAOYSA-N
MW704.88 g/mol
LogP13.60
Rot. Bonds6

About 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine

9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine (PubChem CID 118315164) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
PubChem CID118315164
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7ccn(-c8ccccc8)c7c65)cc4)ccc32)cc1
InChIInChI=1S/C51H36N4/c1-35-20-23-40(24-21-35)54-47-18-10-9-17-44(47)46-34-42(29-31-49(46)54)53(38-14-6-3-7-15-38)39-25-27-41(28-26-39)55-48-19-11-8-16-43(48)45-30-22-36-32-33-52(50(36)51(45)55)37-12-4-2-5-13-37/h2-34H,1H3
InChIKeyAMRLXIPXNJPGSV-UHFFFAOYSA-N
XLogP13.60
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine with MolForge

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Related Compounds

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-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315166
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]aniline
CID 118315359
N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 118315805
5,8-bis(4-carbazol-9-ylphenyl)-5,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene;9-[4-[1-(4-carbazol-9-ylphenyl)pyrrolo[3,2-g]indol-8-yl]phenyl]carbazole;N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-5,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaen-5-yl]aniline;N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]pyrrolo[3,2-g]indol-8-yl]aniline
CID 161495857
N,N-diphenyl-3-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;N,N-diphenyl-4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)phenyl]aniline
CID 160601602
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
CID 118315327
N,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine?
The IUPAC name of 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine (CID 118315164) is 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine?
The canonical SMILES for 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine is Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7ccn(-c8ccccc8)c7c65)cc4)ccc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine?
The InChIKey is AMRLXIPXNJPGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-35-20-23-40(24-21-35)54-47-18-10-9-17-44(47)46-34-42(29-31-49(46)54)53(38-14-6-3-7-15-38)39-25-27-41(28-26-39)55-48-19-11-8-16-43(48)45-30-22-36-32-33-52(50(36)51(45)55)37-12-4-2-5-13-37/h2-34H,1H3.
What are the key properties of 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine?
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine has a molecular weight of 704.88 g/mol, XLogP of 13.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 118315164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).