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N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline

C64H44N2 — CID 172501687

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-2-18-45(19-3-1)54-25-6-8-27-57(54)59-29-10-11-30-60(59)58-28-9-7-26-55(58)47-36-38-49(39-37-47)65(52-23-16-22-48(44-52)56-33-17-21-46-20-4-5-24-53(46)56)50-40-42-51(43-41-50)66-63-34-14-12-31-61(63)62-32-13-15-35-64(62)66/h1-44H
InChIKeyGNAJVUBBQKTODA-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline

N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline (PubChem CID 172501687) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
PubChem CID172501687
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-2-18-45(19-3-1)54-25-6-8-27-57(54)59-29-10-11-30-60(59)58-28-9-7-26-55(58)47-36-38-49(39-37-47)65(52-23-16-22-48(44-52)56-33-17-21-46-20-4-5-24-53(46)56)50-40-42-51(43-41-50)66-63-34-14-12-31-61(63)62-32-13-15-35-64(62)66/h1-44H
InChIKeyGNAJVUBBQKTODA-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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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline (CID 172501687) is N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline?
The InChIKey is GNAJVUBBQKTODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-2-18-45(19-3-1)54-25-6-8-27-57(54)59-29-10-11-30-60(59)58-28-9-7-26-55(58)47-36-38-49(39-37-47)65(52-23-16-22-48(44-52)56-33-17-21-46-20-4-5-24-53(46)56)50-40-42-51(43-41-50)66-63-34-14-12-31-61(63)62-32-13-15-35-64(62)66/h1-44H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]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 N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 172501687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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