7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine

C84H64N2 — CID 59246481

IUPAC7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6cccc(-c7ccccc7)c6)c6cccc7ccccc67)ccc4-5)cc3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C84H64N2/c1-83(2)77-51-59(43-47-73(77)75-49-45-69(55-79(75)83)85(81-33-17-25-63-23-11-13-31-71(63)81)67-29-15-27-65(53-67)61-19-7-5-8-20-61)41-39-57-35-37-58(38-36-57)40-42-60-44-48-74-76-50-46-70(56-80(76)84(3,4)78(74)52-60)86(82-34-18-26-64-24-12-14-32-72(64)82)68-30-16-28-66(54-68)62-21-9-6-10-22-62/h5-56H,1-4H3/b41-39+,42-40+
InChIKeyYLDTXMOVVVLONH-LMXNTIJMSA-N
MW1101.45 g/mol
LogP23.22
Rot. Bonds12

About 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine

7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 59246481) has the molecular formula C84H64N2 and a molecular weight of 1101.45 g/mol. Its IUPAC name is 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine
PubChem CID59246481
Molecular FormulaC84H64N2
Molecular Weight1101.45 g/mol
Exact Mass1100.51
IUPAC Name7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6cccc(-c7ccccc7)c6)c6cccc7ccccc67)ccc4-5)cc3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C84H64N2/c1-83(2)77-51-59(43-47-73(77)75-49-45-69(55-79(75)83)85(81-33-17-25-63-23-11-13-31-71(63)81)67-29-15-27-65(53-67)61-19-7-5-8-20-61)41-39-57-35-37-58(38-36-57)40-42-60-44-48-74-76-50-46-70(56-80(76)84(3,4)78(74)52-60)86(82-34-18-26-64-24-12-14-32-72(64)82)68-30-16-28-66(54-68)62-21-9-6-10-22-62/h5-56H,1-4H3/b41-39+,42-40+
InChIKeyYLDTXMOVVVLONH-LMXNTIJMSA-N
XLogP23.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.45
LogP ≤ 523.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067766
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 59246065
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
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 89068019
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
N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
CID 59246384
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
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
N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
CID 59246329

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine (CID 59246481) is 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6cccc(-c7ccccc7)c6)c6cccc7ccccc67)ccc4-5)cc3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc21.
What is the InChIKey of 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine?
The InChIKey is YLDTXMOVVVLONH-LMXNTIJMSA-N. The full InChI is InChI=1S/C84H64N2/c1-83(2)77-51-59(43-47-73(77)75-49-45-69(55-79(75)83)85(81-33-17-25-63-23-11-13-31-71(63)81)67-29-15-27-65(53-67)61-19-7-5-8-20-61)41-39-57-35-37-58(38-36-57)40-42-60-44-48-74-76-50-46-70(56-80(76)84(3,4)78(74)52-60)86(82-34-18-26-64-24-12-14-32-72(64)82)68-30-16-28-66(54-68)62-21-9-6-10-22-62/h5-56H,1-4H3/b41-39+,42-40+.
What are the key properties of 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine?
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 1101.45 g/mol, XLogP of 23.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 59246481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).