N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

C58H40N2 — CID 67472370

IUPACN-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-3-12-41(13-4-1)42-22-24-43(25-23-42)45-30-35-51(36-31-45)59(56-21-11-15-48-14-7-8-18-53(48)56)52-37-32-46(33-38-52)44-26-28-47(29-27-44)49-34-39-58-55(40-49)54-19-9-10-20-57(54)60(58)50-16-5-2-6-17-50/h1-40H
InChIKeyYLVHYQNFVPXWGK-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 67472370) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID67472370
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-3-12-41(13-4-1)42-22-24-43(25-23-42)45-30-35-51(36-31-45)59(56-21-11-15-48-14-7-8-18-53(48)56)52-37-32-46(33-38-52)44-26-28-47(29-27-44)49-34-39-58-55(40-49)54-19-9-10-20-57(54)60(58)50-16-5-2-6-17-50/h1-40H
InChIKeyYLVHYQNFVPXWGK-UHFFFAOYSA-N
XLogP16.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine
CID 135271748
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501382
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
4-[9-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]carbazol-3-yl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 130397476

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 67472370) is N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is YLVHYQNFVPXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-12-41(13-4-1)42-22-24-43(25-23-42)45-30-35-51(36-31-45)59(56-21-11-15-48-14-7-8-18-53(48)56)52-37-32-46(33-38-52)44-26-28-47(29-27-44)49-34-39-58-55(40-49)54-19-9-10-20-57(54)60(58)50-16-5-2-6-17-50/h1-40H.
What are the key properties of N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 764.97 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 67472370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).