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

C64H44N2 — CID 172502466

IUPACN-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C64H44N2/c1-2-18-47(19-3-1)55-25-6-7-26-56(55)57-27-8-9-28-58(57)59-29-10-13-33-62(59)65(51-22-17-23-52(44-51)66-63-34-14-11-30-60(63)61-31-12-15-35-64(61)66)50-42-40-46(41-43-50)45-36-38-49(39-37-45)54-32-16-21-48-20-4-5-24-53(48)54/h1-44H
InChIKeyIFPAHOFYAWKCQF-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

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

N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172502466) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID172502466
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C64H44N2/c1-2-18-47(19-3-1)55-25-6-7-26-56(55)57-27-8-9-28-58(57)59-29-10-13-33-62(59)65(51-22-17-23-52(44-51)66-63-34-14-11-30-60(63)61-31-12-15-35-64(61)66)50-42-40-46(41-43-50)45-36-38-49(39-37-45)54-32-16-21-48-20-4-5-24-53(48)54/h1-44H
InChIKeyIFPAHOFYAWKCQF-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-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 171457249
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501382
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172501638
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501114
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325535
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501369
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
CID 166565729

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172502466) is N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is IFPAHOFYAWKCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-2-18-47(19-3-1)55-25-6-7-26-56(55)57-27-8-9-28-58(57)59-29-10-13-33-62(59)65(51-22-17-23-52(44-51)66-63-34-14-11-30-60(63)61-31-12-15-35-64(61)66)50-42-40-46(41-43-50)45-36-38-49(39-37-45)54-32-16-21-48-20-4-5-24-53(48)54/h1-44H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-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 N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172502466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).