N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine

C53H44N2 — CID 89067686

IUPACN-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
SMILESCc1cc(C)cc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)c2ccc3ccccc3c2)c1
InChIInChI=1S/C53H44N2/c1-37-31-38(2)33-48(32-37)55(46-27-24-41-13-11-12-14-42(41)35-46)47-28-30-50-49-29-23-40(34-51(49)53(3,4)52(50)36-47)20-19-39-21-25-45(26-22-39)54(43-15-7-5-8-16-43)44-17-9-6-10-18-44/h5-36H,1-4H3/b20-19+
InChIKeyXRSKJTQBLWKIDP-FMQUCBEESA-N
MW708.95 g/mol
LogP14.87
Rot. Bonds8

About N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine

N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine (PubChem CID 89067686) has the molecular formula C53H44N2 and a molecular weight of 708.95 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
PubChem CID89067686
Molecular FormulaC53H44N2
Molecular Weight708.95 g/mol
Exact Mass708.35
IUPAC NameN-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
SMILESCc1cc(C)cc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)c2ccc3ccccc3c2)c1
InChIInChI=1S/C53H44N2/c1-37-31-38(2)33-48(32-37)55(46-27-24-41-13-11-12-14-42(41)35-46)47-28-30-50-49-29-23-40(34-51(49)53(3,4)52(50)36-47)20-19-39-21-25-45(26-22-39)54(43-15-7-5-8-16-43)44-17-9-6-10-18-44/h5-36H,1-4H3/b20-19+
InChIKeyXRSKJTQBLWKIDP-FMQUCBEESA-N
XLogP14.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.95
LogP ≤ 514.87
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

9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067733
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine;7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;7-[(E)-2-[10-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]anthracen-9-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;7-[(E)-2-[7-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 158982292
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-ylfluoren-2-amine
CID 59246107
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
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
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[6-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246519
7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067755
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246175
7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246115
N-(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246124
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
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine (CID 89067686) is N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine is Cc1cc(C)cc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?
The InChIKey is XRSKJTQBLWKIDP-FMQUCBEESA-N. The full InChI is InChI=1S/C53H44N2/c1-37-31-38(2)33-48(32-37)55(46-27-24-41-13-11-12-14-42(41)35-46)47-28-30-50-49-29-23-40(34-51(49)53(3,4)52(50)36-47)20-19-39-21-25-45(26-22-39)54(43-15-7-5-8-16-43)44-17-9-6-10-18-44/h5-36H,1-4H3/b20-19+.
What are the key properties of N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine has a molecular weight of 708.95 g/mol, XLogP of 14.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 89067686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).