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

C58H40N2 — CID 164832079

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c4cccc5ccccc45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H40N2/c1-4-17-42(18-5-1)50-38-35-45(40-54(50)44-19-6-2-7-20-44)41-33-36-48(37-34-41)59(55-31-15-22-43-21-10-11-27-51(43)55)49-26-14-23-46(39-49)52-29-16-32-57-58(52)53-28-12-13-30-56(53)60(57)47-24-8-3-9-25-47/h1-40H
InChIKeyHCLREZYQOZFAEN-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

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

N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine (PubChem CID 164832079) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
PubChem CID164832079
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c4cccc5ccccc45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H40N2/c1-4-17-42(18-5-1)50-38-35-45(40-54(50)44-19-6-2-7-20-44)41-33-36-48(37-34-41)59(55-31-15-22-43-21-10-11-27-51(43)55)49-26-14-23-46(39-49)52-29-16-32-57-58(52)53-28-12-13-30-56(53)60(57)47-24-8-3-9-25-47/h1-40H
InChIKeyHCLREZYQOZFAEN-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-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
9-phenyl-N-[3-[4-[3-[N-(9-phenylcarbazol-4-yl)-4-[3-[2-phenyl-5-[4-(9-phenylcarbazol-4-yl)-N-[3-[4-[3-(4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)carbazol-4-amine
CID 163910483
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167195026
N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501542
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine (CID 164832079) is N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c4cccc5ccccc45)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine?
The InChIKey is HCLREZYQOZFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-17-42(18-5-1)50-38-35-45(40-54(50)44-19-6-2-7-20-44)41-33-36-48(37-34-41)59(55-31-15-22-43-21-10-11-27-51(43)55)49-26-14-23-46(39-49)52-29-16-32-57-58(52)53-28-12-13-30-56(53)60(57)47-24-8-3-9-25-47/h1-40H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine?
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)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-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 164832079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).