3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline

C66H46N2 — CID 168790192

IUPAC3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-5-21-47(22-6-1)48-39-41-51(42-40-48)57-32-15-17-36-62(57)68(64-38-20-35-58(50-25-9-3-10-26-50)66(64)61-34-14-13-31-56(61)49-23-7-2-8-24-49)55-30-19-27-52(45-55)53-43-44-60-59-33-16-18-37-63(59)67(65(60)46-53)54-28-11-4-12-29-54/h1-46H
InChIKeyOHCXVWZQDZSNAQ-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline

3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline (PubChem CID 168790192) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
PubChem CID168790192
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-5-21-47(22-6-1)48-39-41-51(42-40-48)57-32-15-17-36-62(57)68(64-38-20-35-58(50-25-9-3-10-26-50)66(64)61-34-14-13-31-56(61)49-23-7-2-8-24-49)55-30-19-27-52(45-55)53-43-44-60-59-33-16-18-37-63(59)67(65(60)46-53)54-28-11-4-12-29-54/h1-46H
InChIKeyOHCXVWZQDZSNAQ-UHFFFAOYSA-N
XLogP18.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168789220
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790590
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789351
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788688
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 168790882
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168790601
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168790792
9-phenyl-N-(3-phenylphenyl)-N-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazol-4-amine
CID 177077824
N,N-bis(3-phenylphenyl)-2-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]aniline;N,N-diphenyl-2-[9-[2-(2-phenylphenyl)phenyl]carbazol-2-yl]aniline;N,N-diphenyl-2-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]aniline
CID 159939662

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline (CID 168790192) is 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline?
The InChIKey is OHCXVWZQDZSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-5-21-47(22-6-1)48-39-41-51(42-40-48)57-32-15-17-36-62(57)68(64-38-20-35-58(50-25-9-3-10-26-50)66(64)61-34-14-13-31-56(61)49-23-7-2-8-24-49)55-30-19-27-52(45-55)53-43-44-60-59-33-16-18-37-63(59)67(65(60)46-53)54-28-11-4-12-29-54/h1-46H.
What are the key properties of 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline?
3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline has a molecular weight of 867.11 g/mol, XLogP of 18.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 168790192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).