5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine

C54H37N3 — CID 169009734

IUPAC5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H37N3/c1-5-18-38(19-6-1)40-22-15-27-43(36-40)55(52-33-17-30-47-46-28-13-14-31-49(46)57(54(47)52)42-25-11-4-12-26-42)44-34-35-50-48(37-44)53-45(39-20-7-2-8-21-39)29-16-32-51(53)56(50)41-23-9-3-10-24-41/h1-37H
InChIKeyHXMQNQZCASIESV-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine

5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine (PubChem CID 169009734) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine
PubChem CID169009734
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H37N3/c1-5-18-38(19-6-1)40-22-15-27-43(36-40)55(52-33-17-30-47-46-28-13-14-31-49(46)57(54(47)52)42-25-11-4-12-26-42)44-34-35-50-48(37-44)53-45(39-20-7-2-8-21-39)29-16-32-51(53)56(50)41-23-9-3-10-24-41/h1-37H
InChIKeyHXMQNQZCASIESV-UHFFFAOYSA-N
XLogP14.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 169010447
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 169009800
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine (CID 169009734) is 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is HXMQNQZCASIESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-5-18-38(19-6-1)40-22-15-27-43(36-40)55(52-33-17-30-47-46-28-13-14-31-49(46)57(54(47)52)42-25-11-4-12-26-42)44-34-35-50-48(37-44)53-45(39-20-7-2-8-21-39)29-16-32-51(53)56(50)41-23-9-3-10-24-41/h1-37H.
What are the key properties of 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine?
5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 727.91 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-N-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 169009734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).