N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine

C64H42N4 — CID 59260015

IUPACN-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(-c2nc3c(-c4cccc5ccccc45)ccc(-c4cccc5ccccc45)c3nc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H42N4/c1-4-20-45(21-5-1)61-62(66-64-57(54-32-17-23-44-19-11-13-29-52(44)54)40-39-56(63(64)65-61)53-31-16-22-43-18-10-12-28-51(43)53)46-34-36-49(37-35-46)67(47-24-6-2-7-25-47)50-38-41-60-58(42-50)55-30-14-15-33-59(55)68(60)48-26-8-3-9-27-48/h1-42H
InChIKeyDADUJRHCXYKZEG-UHFFFAOYSA-N
MW867.07 g/mol
LogP17.17
Rot. Bonds8

About N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 59260015) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID59260015
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC NameN-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(-c2nc3c(-c4cccc5ccccc45)ccc(-c4cccc5ccccc45)c3nc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H42N4/c1-4-20-45(21-5-1)61-62(66-64-57(54-32-17-23-44-19-11-13-29-52(44)54)40-39-56(63(64)65-61)53-31-16-22-43-18-10-12-28-51(43)53)46-34-36-49(37-35-46)67(47-24-6-2-7-25-47)50-38-41-60-58(42-50)55-30-14-15-33-59(55)68(60)48-26-8-3-9-27-48/h1-42H
InChIKeyDADUJRHCXYKZEG-UHFFFAOYSA-N
XLogP17.17
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(8-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259899
4-N-[4-[5,8-dinaphthalen-1-yl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[4-[5,8-dinaphthalen-2-yl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N,9-diphenyl-N-[4-[3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
CID 158238059
N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259961
N,9-diphenyl-N-[4-[3-[4-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[5-[3-[5-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[4-[4-[3-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]carbazol-3-amine
CID 158704413
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259901
6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59010589
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine (CID 59260015) is N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(-c2nc3c(-c4cccc5ccccc45)ccc(-c4cccc5ccccc45)c3nc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is DADUJRHCXYKZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-4-20-45(21-5-1)61-62(66-64-57(54-32-17-23-44-19-11-13-29-52(44)54)40-39-56(63(64)65-61)53-31-16-22-43-18-10-12-28-51(43)53)46-34-36-49(37-35-46)67(47-24-6-2-7-25-47)50-38-41-60-58(42-50)55-30-14-15-33-59(55)68(60)48-26-8-3-9-27-48/h1-42H.
What are the key properties of N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 867.07 g/mol, XLogP of 17.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 59260015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).