N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine

C64H44N2 — CID 170272033

IUPACN-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc(-c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccc5cc(-c6ccccc6)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-4-14-45(15-5-1)48-24-26-49(27-25-48)50-30-35-57(36-31-50)65(59-39-34-53-40-52(28-29-54(53)42-59)46-16-6-2-7-17-46)58-37-32-51(33-38-58)56-41-55(47-18-8-3-9-19-47)43-60(44-56)66-63-22-12-10-20-61(63)62-21-11-13-23-64(62)66/h1-44H
InChIKeyKTQIYNRPXMNHII-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine

N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 170272033) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID170272033
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc(-c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccc5cc(-c6ccccc6)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-4-14-45(15-5-1)48-24-26-49(27-25-48)50-30-35-57(36-31-50)65(59-39-34-53-40-52(28-29-54(53)42-59)46-16-6-2-7-17-46)58-37-32-51(33-38-58)56-41-55(47-18-8-3-9-19-47)43-60(44-56)66-63-22-12-10-20-61(63)62-21-11-13-23-64(62)66/h1-44H
InChIKeyKTQIYNRPXMNHII-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-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine
CID 89260596
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566213
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine (CID 170272033) is N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc(-c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccc5cc(-c6ccccc6)ccc5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is KTQIYNRPXMNHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-4-14-45(15-5-1)48-24-26-49(27-25-48)50-30-35-57(36-31-50)65(59-39-34-53-40-52(28-29-54(53)42-59)46-16-6-2-7-17-46)58-37-32-51(33-38-58)56-41-55(47-18-8-3-9-19-47)43-60(44-56)66-63-22-12-10-20-61(63)62-21-11-13-23-64(62)66/h1-44H.
What are the key properties of N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine?
N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine 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-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170272033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).