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

C66H46N2 — CID 155037985

IUPAC3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc5)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-15-47(16-5-1)50-27-29-51(30-28-50)53-35-40-58(41-36-53)67(60-22-14-21-56(45-60)48-17-6-2-7-18-48)59-42-37-54(38-43-59)52-31-33-55(34-32-52)61-23-10-12-25-64(61)68-65-26-13-11-24-62(65)63-44-39-57(46-66(63)68)49-19-8-3-9-20-49/h1-46H
InChIKeyILZLQAQXEJXXNI-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

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

3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 155037985) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID155037985
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc5)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-15-47(16-5-1)50-27-29-51(30-28-50)53-35-40-58(41-36-53)67(60-22-14-21-56(45-60)48-17-6-2-7-18-48)59-42-37-54(38-43-59)52-31-33-55(34-32-52)61-23-10-12-25-64(61)68-65-26-13-11-24-62(65)63-44-39-57(46-66(63)68)49-19-8-3-9-20-49/h1-46H
InChIKeyILZLQAQXEJXXNI-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-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
3-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467805
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037754
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
CID 174245460
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
CID 153314590
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170664617
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 155037985) is 3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc5)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is ILZLQAQXEJXXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-4-15-47(16-5-1)50-27-29-51(30-28-50)53-35-40-58(41-36-53)67(60-22-14-21-56(45-60)48-17-6-2-7-18-48)59-42-37-54(38-43-59)52-31-33-55(34-32-52)61-23-10-12-25-64(61)68-65-26-13-11-24-62(65)63-44-39-57(46-66(63)68)49-19-8-3-9-20-49/h1-46H.
What are the key properties of 3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[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-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 155037985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).