N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline

C66H46N2 — CID 168789351

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-20-47(21-5-1)48-38-40-52(41-39-48)57-29-12-15-34-62(57)67(65-37-19-33-58(51-24-8-3-9-25-51)66(65)61-32-11-10-28-56(61)50-22-6-2-7-23-50)54-44-42-49(43-45-54)53-26-18-27-55(46-53)68-63-35-16-13-30-59(63)60-31-14-17-36-64(60)68/h1-46H
InChIKeyWNSGCJRACARBJG-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline (PubChem CID 168789351) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
PubChem CID168789351
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-20-47(21-5-1)48-38-40-52(41-39-48)57-29-12-15-34-62(57)67(65-37-19-33-58(51-24-8-3-9-25-51)66(65)61-32-11-10-28-56(61)50-22-6-2-7-23-50)54-44-42-49(43-45-54)53-26-18-27-55(46-53)68-63-35-16-13-30-59(63)60-31-14-17-36-64(60)68/h1-46H
InChIKeyWNSGCJRACARBJG-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-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790977
3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790192
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]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-2-amine
CID 168790813
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168788939
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 155398441
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
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314942
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168790601
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
CID 166565729
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315098

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline (CID 168789351) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline?
The InChIKey is WNSGCJRACARBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-4-20-47(21-5-1)48-38-40-52(41-39-48)57-29-12-15-34-62(57)67(65-37-19-33-58(51-24-8-3-9-25-51)66(65)61-32-11-10-28-56(61)50-22-6-2-7-23-50)54-44-42-49(43-45-54)53-26-18-27-55(46-53)68-63-35-16-13-30-59(63)60-31-14-17-36-64(60)68/h1-46H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-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 N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 168789351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).