N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine

C58H40N2 — CID 126627984

IUPACN-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H40N2/c1-3-14-41(15-4-1)43-26-33-48(34-27-43)59(56-25-13-19-45-18-7-8-22-53(45)56)49-37-30-46(31-38-49)51-20-9-10-21-52(51)47-32-39-55-54-23-11-12-24-57(54)60(58(55)40-47)50-35-28-44(29-36-50)42-16-5-2-6-17-42/h1-40H
InChIKeyDKSGRKHQYTYQHB-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

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

N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine (PubChem CID 126627984) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
PubChem CID126627984
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H40N2/c1-3-14-41(15-4-1)43-26-33-48(34-27-43)59(56-25-13-19-45-18-7-8-22-53(45)56)49-37-30-46(31-38-49)51-20-9-10-21-52(51)47-32-39-55-54-23-11-12-24-57(54)60(58(55)40-47)50-35-28-44(29-36-50)42-16-5-2-6-17-42/h1-40H
InChIKeyDKSGRKHQYTYQHB-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-naphthalen-1-yl-N-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627950
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627
N-naphthalen-1-yl-N-[3-[2-[9-[4-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 118337362
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790590
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 159528912
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 168809283
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59728542

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine (CID 126627984) is N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine?
The InChIKey is DKSGRKHQYTYQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-14-41(15-4-1)43-26-33-48(34-27-43)59(56-25-13-19-45-18-7-8-22-53(45)56)49-37-30-46(31-38-49)51-20-9-10-21-52(51)47-32-39-55-54-23-11-12-24-57(54)60(58(55)40-47)50-35-28-44(29-36-50)42-16-5-2-6-17-42/h1-40H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine?
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]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-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 126627984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).