3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C64H44N2 — CID 167194998

IUPAC3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5cccc6c5c5c(-c7ccccc7)cccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-4-15-45(16-5-1)47-29-31-48(32-30-47)49-35-39-56(40-36-49)65(57-41-37-50(38-42-57)53-34-33-46-17-10-11-20-52(46)43-53)58-24-12-21-54(44-58)60-26-14-28-62-64(60)63-59(51-18-6-2-7-19-51)25-13-27-61(63)66(62)55-22-8-3-9-23-55/h1-44H
InChIKeyBBCVZRGQJSVSRZ-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About 3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167194998) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167194998
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC Name3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5cccc6c5c5c(-c7ccccc7)cccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-4-15-45(16-5-1)47-29-31-48(32-30-47)49-35-39-56(40-36-49)65(57-41-37-50(38-42-57)53-34-33-46-17-10-11-20-52(46)43-53)58-24-12-21-54(44-58)60-26-14-28-62-64(60)63-59(51-18-6-2-7-19-51)25-13-27-61(63)66(62)55-22-8-3-9-23-55/h1-44H
InChIKeyBBCVZRGQJSVSRZ-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166659643
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659553
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660559
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659718
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919

Frequently Asked Questions

What is the IUPAC name of 3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167194998) is 3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5cccc6c5c5c(-c7ccccc7)cccc5n6-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is BBCVZRGQJSVSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-4-15-45(16-5-1)47-29-31-48(32-30-47)49-35-39-56(40-36-49)65(57-41-37-50(38-42-57)53-34-33-46-17-10-11-20-52(46)43-53)58-24-12-21-54(44-58)60-26-14-28-62-64(60)63-59(51-18-6-2-7-19-51)25-13-27-61(63)66(62)55-22-8-3-9-23-55/h1-44H.
What are the key properties of 3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 841.07 g/mol, XLogP of 17.74, 9 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-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167194998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).