7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine

C64H44N2 — CID 91280076

IUPAC7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine
SMILESC(=Cc1ccc2c3ccc(N(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1)c1ccc2cc(-c3cccc4c(-c5ccccc5)ccc(-c5ccccc5)c34)ccc2c1
InChIInChI=1S/C64H44N2/c1-6-17-47(18-7-1)56-39-40-58(48-19-8-2-9-20-48)64-57(27-16-28-61(56)64)51-35-34-49-41-45(31-33-50(49)43-51)29-30-46-32-37-59-60-38-36-55(44-63(60)66(62(59)42-46)54-25-14-5-15-26-54)65(52-21-10-3-11-22-52)53-23-12-4-13-24-53/h1-44H
InChIKeyHJAJATGPYPLMPJ-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.73
Rot. Bonds9

About 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine

7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine (PubChem CID 91280076) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine.

Molecular Properties

Compound Name7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine
PubChem CID91280076
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC Name7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine
SMILESC(=Cc1ccc2c3ccc(N(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1)c1ccc2cc(-c3cccc4c(-c5ccccc5)ccc(-c5ccccc5)c34)ccc2c1
InChIInChI=1S/C64H44N2/c1-6-17-47(18-7-1)56-39-40-58(48-19-8-2-9-20-48)64-57(27-16-28-61(56)64)51-35-34-49-41-45(31-33-50(49)43-51)29-30-46-32-37-59-60-38-36-55(44-63(60)66(62(59)42-46)54-25-14-5-15-26-54)65(52-21-10-3-11-22-52)53-23-12-4-13-24-53/h1-44H
InChIKeyHJAJATGPYPLMPJ-UHFFFAOYSA-N
XLogP17.73
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 ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine
CID 89074929
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660118
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383

Frequently Asked Questions

What is the IUPAC name of 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine?
The IUPAC name of 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine (CID 91280076) is 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine.
What is the SMILES notation for 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine?
The canonical SMILES for 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine is C(=Cc1ccc2c3ccc(N(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1)c1ccc2cc(-c3cccc4c(-c5ccccc5)ccc(-c5ccccc5)c34)ccc2c1.
What is the InChIKey of 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine?
The InChIKey is HJAJATGPYPLMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-6-17-47(18-7-1)56-39-40-58(48-19-8-2-9-20-48)64-57(27-16-28-61(56)64)51-35-34-49-41-45(31-33-50(49)43-51)29-30-46-32-37-59-60-38-36-55(44-63(60)66(62(59)42-46)54-25-14-5-15-26-54)65(52-21-10-3-11-22-52)53-23-12-4-13-24-53/h1-44H.
What are the key properties of 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine?
7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine has a molecular weight of 841.07 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[6-(5,8-diphenylnaphthalen-1-yl)naphthalen-2-yl]ethenyl]-N,N,9-triphenylcarbazol-2-amine is sourced from PubChem (CID 91280076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).