N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine

C81H66N4O2 — CID 59246527

IUPACN-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(OC)cc8)c8ccc9ccccc9n8)ccc6-7)ccc4-5)ccc2-3)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C81H66N4O2/c1-79(2)69-45-51(17-19-53-23-39-65-67-41-31-59(49-73(67)80(3,4)71(65)47-53)84(57-27-33-61(86-7)34-28-57)77-43-25-55-13-9-11-15-75(55)82-77)21-37-63(69)64-38-22-52(46-70(64)79)18-20-54-24-40-66-68-42-32-60(50-74(68)81(5,6)72(66)48-54)85(58-29-35-62(87-8)36-30-58)78-44-26-56-14-10-12-16-76(56)83-78/h9-50H,1-8H3/b19-17+,20-18+
InChIKeyVTJDOKOGHMBPIA-XPWSMXQVSA-N
MW1127.44 g/mol
LogP21.00
Rot. Bonds12

About N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine

N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine (PubChem CID 59246527) has the molecular formula C81H66N4O2 and a molecular weight of 1127.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine
PubChem CID59246527
Molecular FormulaC81H66N4O2
Molecular Weight1127.44 g/mol
Exact Mass1126.52
IUPAC NameN-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(OC)cc8)c8ccc9ccccc9n8)ccc6-7)ccc4-5)ccc2-3)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C81H66N4O2/c1-79(2)69-45-51(17-19-53-23-39-65-67-41-31-59(49-73(67)80(3,4)71(65)47-53)84(57-27-33-61(86-7)34-28-57)77-43-25-55-13-9-11-15-75(55)82-77)21-37-63(69)64-38-22-52(46-70(64)79)18-20-54-24-40-66-68-42-32-60(50-74(68)81(5,6)72(66)48-54)85(58-29-35-62(87-8)36-30-58)78-44-26-56-14-10-12-16-76(56)83-78/h9-50H,1-8H3/b19-17+,20-18+
InChIKeyVTJDOKOGHMBPIA-XPWSMXQVSA-N
XLogP21.00
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.44
LogP ≤ 521.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine (CID 59246527) is N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine is COc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(OC)cc8)c8ccc9ccccc9n8)ccc6-7)ccc4-5)ccc2-3)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine?
The InChIKey is VTJDOKOGHMBPIA-XPWSMXQVSA-N. The full InChI is InChI=1S/C81H66N4O2/c1-79(2)69-45-51(17-19-53-23-39-65-67-41-31-59(49-73(67)80(3,4)71(65)47-53)84(57-27-33-61(86-7)34-28-57)77-43-25-55-13-9-11-15-75(55)82-77)21-37-63(69)64-38-22-52(46-70(64)79)18-20-54-24-40-66-68-42-32-60(50-74(68)81(5,6)72(66)48-54)85(58-29-35-62(87-8)36-30-58)78-44-26-56-14-10-12-16-76(56)83-78/h9-50H,1-8H3/b19-17+,20-18+.
What are the key properties of N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine?
N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine has a molecular weight of 1127.44 g/mol, XLogP of 21.00, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-quinolin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]quinolin-2-amine is sourced from PubChem (CID 59246527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).