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

C64H44N2 — CID 126628031

IUPAC3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5ccc6ccccc6c5)cc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-4-15-45(16-5-1)48-29-35-56(36-30-48)65(57-37-31-49(32-38-57)46-17-6-2-7-18-46)58-24-14-21-53(42-58)59-39-33-52(51-28-27-47-19-10-11-20-50(47)41-51)43-62(59)54-34-40-61-60-25-12-13-26-63(60)66(64(61)44-54)55-22-8-3-9-23-55/h1-44H
InChIKeyDOJDKIKTLPEDBX-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

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

3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 126628031) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
PubChem CID126628031
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC Name3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5ccc6ccccc6c5)cc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-4-15-45(16-5-1)48-29-35-56(36-30-48)65(57-37-31-49(32-38-57)46-17-6-2-7-18-46)58-24-14-21-53(42-58)59-39-33-52(51-28-27-47-19-10-11-20-50(47)41-51)43-62(59)54-34-40-61-60-25-12-13-26-63(60)66(64(61)44-54)55-22-8-3-9-23-55/h1-44H
InChIKeyDOJDKIKTLPEDBX-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-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337481
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731
N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443674
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176

Frequently Asked Questions

What is the IUPAC name of 3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline (CID 126628031) is 3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5ccc6ccccc6c5)cc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)cc2)cc1.
What is the InChIKey of 3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is DOJDKIKTLPEDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-4-15-45(16-5-1)48-29-35-56(36-30-48)65(57-37-31-49(32-38-57)46-17-6-2-7-18-46)58-24-14-21-53(42-58)59-39-33-52(51-28-27-47-19-10-11-20-50(47)41-51)43-62(59)54-34-40-61-60-25-12-13-26-63(60)66(64(61)44-54)55-22-8-3-9-23-55/h1-44H.
What are the key properties of 3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)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-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 126628031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).