6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine

C62H42N2 — CID 58667641

IUPAC6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
SMILESC(=C/c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1)\c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C62H42N2/c1-5-13-49-37-57(29-23-45(49)9-1)63(58-30-24-46-10-2-6-14-50(46)38-58)61-33-27-53-35-43(19-21-55(53)41-61)17-18-44-20-22-56-42-62(34-28-54(56)36-44)64(59-31-25-47-11-3-7-15-51(47)39-59)60-32-26-48-12-4-8-16-52(48)40-60/h1-42H/b18-17+
InChIKeyKPYCGUPZAFGRAL-ISLYRVAYSA-N
MW815.03 g/mol
LogP17.72
Rot. Bonds8

About 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine

6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine (PubChem CID 58667641) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Name6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
PubChem CID58667641
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC Name6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
SMILESC(=C/c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1)\c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C62H42N2/c1-5-13-49-37-57(29-23-45(49)9-1)63(58-30-24-46-10-2-6-14-50(46)38-58)61-33-27-53-35-43(19-21-55(53)41-61)17-18-44-20-22-56-42-62(34-28-54(56)36-44)64(59-31-25-47-11-3-7-15-51(47)39-59)60-32-26-48-12-4-8-16-52(48)40-60/h1-42H/b18-17+
InChIKeyKPYCGUPZAFGRAL-ISLYRVAYSA-N
XLogP17.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.72
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

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CID 20801910
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CID 72565650
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 59801134
7-[(E)-2-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246385
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine
CID 89065381
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59270571
4-[[6-[(E)-2-[6-(4-isocyano-N-naphthalen-2-ylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-yl]-naphthalen-2-ylamino]benzonitrile
CID 140926325

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine (CID 58667641) is 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine is C(=C/c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1)\c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine?
The InChIKey is KPYCGUPZAFGRAL-ISLYRVAYSA-N. The full InChI is InChI=1S/C62H42N2/c1-5-13-49-37-57(29-23-45(49)9-1)63(58-30-24-46-10-2-6-14-50(46)38-58)61-33-27-53-35-43(19-21-55(53)41-61)17-18-44-20-22-56-42-62(34-28-54(56)36-44)64(59-31-25-47-11-3-7-15-51(47)39-59)60-32-26-48-12-4-8-16-52(48)40-60/h1-42H/b18-17+.
What are the key properties of 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine?
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine has a molecular weight of 815.03 g/mol, XLogP of 17.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 58667641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).