5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine

C54H37N3 — CID 169009943

IUPAC5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C54H37N3/c1-5-16-38(17-6-1)39-28-30-43(31-29-39)55(45-32-34-48-47-24-13-14-26-50(47)57(53(48)37-45)42-22-11-4-12-23-42)44-33-35-51-49(36-44)54-46(40-18-7-2-8-19-40)25-15-27-52(54)56(51)41-20-9-3-10-21-41/h1-37H
InChIKeyMBVBWCFGCKPPBN-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About 5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine

5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 169009943) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID169009943
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C54H37N3/c1-5-16-38(17-6-1)39-28-30-43(31-29-39)55(45-32-34-48-47-24-13-14-26-50(47)57(53(48)37-45)42-22-11-4-12-23-42)44-33-35-51-49(36-44)54-46(40-18-7-2-8-19-40)25-15-27-52(54)56(51)41-20-9-3-10-21-41/h1-37H
InChIKeyMBVBWCFGCKPPBN-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

N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine
CID 170286553
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 169010447
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine (CID 169009943) is 5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is MBVBWCFGCKPPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-5-16-38(17-6-1)39-28-30-43(31-29-39)55(45-32-34-48-47-24-13-14-26-50(47)57(53(48)37-45)42-22-11-4-12-23-42)44-33-35-51-49(36-44)54-46(40-18-7-2-8-19-40)25-15-27-52(54)56(51)41-20-9-3-10-21-41/h1-37H.
What are the key properties of 5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine?
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-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-2-yl)-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 169009943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).