7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine

C77H68N2O2 — CID 59246059

IUPAC7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-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)c8ccccc8C)ccc6-7)ccc4-5)ccc2-3)c2ccccc2C)cc1
InChIInChI=1S/C77H68N2O2/c1-49-15-11-13-17-73(49)78(55-27-33-59(80-9)34-28-55)57-31-41-65-63-39-25-53(45-69(63)76(5,6)71(65)47-57)21-19-51-23-37-61-62-38-24-52(44-68(62)75(3,4)67(61)43-51)20-22-54-26-40-64-66-42-32-58(48-72(66)77(7,8)70(64)46-54)79(74-18-14-12-16-50(74)2)56-29-35-60(81-10)36-30-56/h11-48H,1-10H3/b21-19+,22-20+
InChIKeyJTNLCUXDFCZCMO-FLFKKZLDSA-N
MW1053.40 g/mol
LogP20.52
Rot. Bonds12

About 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine

7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine (PubChem CID 59246059) has the molecular formula C77H68N2O2 and a molecular weight of 1053.40 g/mol. Its IUPAC name is 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
PubChem CID59246059
Molecular FormulaC77H68N2O2
Molecular Weight1053.40 g/mol
Exact Mass1052.53
IUPAC Name7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-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)c8ccccc8C)ccc6-7)ccc4-5)ccc2-3)c2ccccc2C)cc1
InChIInChI=1S/C77H68N2O2/c1-49-15-11-13-17-73(49)78(55-27-33-59(80-9)34-28-55)57-31-41-65-63-39-25-53(45-69(63)76(5,6)71(65)47-57)21-19-51-23-37-61-62-38-24-52(44-68(62)75(3,4)67(61)43-51)20-22-54-26-40-64-66-42-32-58(48-72(66)77(7,8)70(64)46-54)79(74-18-14-12-16-50(74)2)56-29-35-60(81-10)36-30-56/h11-48H,1-10H3/b21-19+,22-20+
InChIKeyJTNLCUXDFCZCMO-FLFKKZLDSA-N
XLogP20.52
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.40
LogP ≤ 520.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine with MolForge

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Related Compounds

7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
CID 59246550
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59246492
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
N-(4-methoxyphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-methoxyphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246029
N-(3,5-dimethylphenyl)-7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-2-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 89068057
7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90896826
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline
CID 123509088
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
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
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(naphthalen-2-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-ylfluoren-2-amine
CID 59246200

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine?
The IUPAC name of 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine (CID 59246059) is 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-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)c8ccccc8C)ccc6-7)ccc4-5)ccc2-3)c2ccccc2C)cc1.
What is the InChIKey of 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine?
The InChIKey is JTNLCUXDFCZCMO-FLFKKZLDSA-N. The full InChI is InChI=1S/C77H68N2O2/c1-49-15-11-13-17-73(49)78(55-27-33-59(80-9)34-28-55)57-31-41-65-63-39-25-53(45-69(63)76(5,6)71(65)47-57)21-19-51-23-37-61-62-38-24-52(44-68(62)75(3,4)67(61)43-51)20-22-54-26-40-64-66-42-32-58(48-72(66)77(7,8)70(64)46-54)79(74-18-14-12-16-50(74)2)56-29-35-60(81-10)36-30-56/h11-48H,1-10H3/b21-19+,22-20+.
What are the key properties of 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine?
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine has a molecular weight of 1053.40 g/mol, XLogP of 20.52, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 59246059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).