3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

C66H46N2 — CID 166659553

IUPAC3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc6c5c5c(-c7ccccc7)cccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-5-16-47(17-6-1)49-30-34-51(35-31-49)53-38-42-58(43-39-53)67(59-44-40-54(41-45-59)52-36-32-50(33-37-52)48-18-7-2-8-19-48)60-25-13-22-56(46-60)62-27-15-29-64-66(62)65-61(55-20-9-3-10-21-55)26-14-28-63(65)68(64)57-23-11-4-12-24-57/h1-46H
InChIKeyJRCPURTYTMAJKR-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About 3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166659553) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
PubChem CID166659553
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc6c5c5c(-c7ccccc7)cccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-5-16-47(17-6-1)49-30-34-51(35-31-49)53-38-42-58(43-39-53)67(59-44-40-54(41-45-59)52-36-32-50(33-37-52)48-18-7-2-8-19-48)60-25-13-22-56(46-60)62-27-15-29-64-66(62)65-61(55-20-9-3-10-21-55)26-14-28-63(65)68(64)57-23-11-4-12-24-57/h1-46H
InChIKeyJRCPURTYTMAJKR-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-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167194998
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
3-(8,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659528
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

Frequently Asked Questions

What is the IUPAC name of 3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (CID 166659553) is 3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc6c5c5c(-c7ccccc7)cccc5n6-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is JRCPURTYTMAJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-5-16-47(17-6-1)49-30-34-51(35-31-49)53-38-42-58(43-39-53)67(59-44-40-54(41-45-59)52-36-32-50(33-37-52)48-18-7-2-8-19-48)60-25-13-22-56(46-60)62-27-15-29-64-66(62)65-61(55-20-9-3-10-21-55)26-14-28-63(65)68(64)57-23-11-4-12-24-57/h1-46H.
What are the key properties of 3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
3-(5,9-diphenylcarbazol-4-yl)-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-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166659553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).