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

C66H46N2 — CID 167196004

IUPAC3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-15-47(16-5-1)49-29-33-51(34-30-49)53-37-41-59(42-38-53)67(60-43-39-54(40-44-60)52-35-31-50(32-36-52)48-17-6-2-7-18-48)61-24-13-20-56(46-61)55-19-12-21-57(45-55)62-26-14-28-65-66(62)63-25-10-11-27-64(63)68(65)58-22-8-3-9-23-58/h1-46H
InChIKeyNFQQRZQQOOHTRZ-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

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

3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167196004) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167196004
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-15-47(16-5-1)49-29-33-51(34-30-49)53-37-41-59(42-38-53)67(60-43-39-54(40-44-60)52-35-31-50(32-36-52)48-17-6-2-7-18-48)61-24-13-20-56(46-61)55-19-12-21-57(45-55)62-26-14-28-65-66(62)63-25-10-11-27-64(63)68(65)58-22-8-3-9-23-58/h1-46H
InChIKeyNFQQRZQQOOHTRZ-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

3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-4-yl)phenyl]benzene-1,3-diamine
CID 177275916
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
3-[3-(4-carbazol-9-ylphenyl)phenyl]-N,N-diphenyl-5-(9-phenylcarbazol-4-yl)aniline
CID 144888422
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (CID 167196004) is 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is NFQQRZQQOOHTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-4-15-47(16-5-1)49-29-33-51(34-30-49)53-37-41-59(42-38-53)67(60-43-39-54(40-44-60)52-35-31-50(32-36-52)48-17-6-2-7-18-48)61-24-13-20-56(46-61)55-19-12-21-57(45-55)62-26-14-28-65-66(62)63-25-10-11-27-64(63)68(65)58-22-8-3-9-23-58/h1-46H.
What are the key properties of 3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(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-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167196004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).