7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine

C84H63N2P — CID 59245924

IUPAC7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7ccc8ccccc8c7)ccc5-6)ccc3p4-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C84H63N2P/c1-83(2)77-50-58(32-42-71(77)73-44-40-68(54-79(73)83)85(64-22-8-5-9-23-64)66-38-36-60-18-14-16-20-62(60)52-66)30-28-56-34-46-81-75(48-56)76-49-57(35-47-82(76)87(81)70-26-12-7-13-27-70)29-31-59-33-43-72-74-45-41-69(55-80(74)84(3,4)78(72)51-59)86(65-24-10-6-11-25-65)67-39-37-61-19-15-17-21-63(61)53-67/h5-55H,1-4H3/b30-28+,31-29+
InChIKeyJBUPSUJKIQXFPR-FUEWEDNTSA-N
MW1131.42 g/mol
LogP24.17
Rot. Bonds11

About 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine

7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine (PubChem CID 59245924) has the molecular formula C84H63N2P and a molecular weight of 1131.42 g/mol. Its IUPAC name is 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine
PubChem CID59245924
Molecular FormulaC84H63N2P
Molecular Weight1131.42 g/mol
Exact Mass1130.47
IUPAC Name7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7ccc8ccccc8c7)ccc5-6)ccc3p4-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C84H63N2P/c1-83(2)77-50-58(32-42-71(77)73-44-40-68(54-79(73)83)85(64-22-8-5-9-23-64)66-38-36-60-18-14-16-20-62(60)52-66)30-28-56-34-46-81-75(48-56)76-49-57(35-47-82(76)87(81)70-26-12-7-13-27-70)29-31-59-33-43-72-74-45-41-69(55-80(74)84(3,4)78(72)51-59)86(65-24-10-6-11-25-65)67-39-37-61-19-15-17-21-63(61)53-67/h5-55H,1-4H3/b30-28+,31-29+
InChIKeyJBUPSUJKIQXFPR-FUEWEDNTSA-N
XLogP24.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.42
LogP ≤ 524.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine with MolForge

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Related Compounds

7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 59246183
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
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
9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067733
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
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89067686
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
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-[(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
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
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
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

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine?
The IUPAC name of 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine (CID 59245924) is 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine.
What is the SMILES notation for 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine?
The canonical SMILES for 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7ccc8ccccc8c7)ccc5-6)ccc3p4-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine?
The InChIKey is JBUPSUJKIQXFPR-FUEWEDNTSA-N. The full InChI is InChI=1S/C84H63N2P/c1-83(2)77-50-58(32-42-71(77)73-44-40-68(54-79(73)83)85(64-22-8-5-9-23-64)66-38-36-60-18-14-16-20-62(60)52-66)30-28-56-34-46-81-75(48-56)76-49-57(35-47-82(76)87(81)70-26-12-7-13-27-70)29-31-59-33-43-72-74-45-41-69(55-80(74)84(3,4)78(72)51-59)86(65-24-10-6-11-25-65)67-39-37-61-19-15-17-21-63(61)53-67/h5-55H,1-4H3/b30-28+,31-29+.
What are the key properties of 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine?
7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine has a molecular weight of 1131.42 g/mol, XLogP of 24.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine is sourced from PubChem (CID 59245924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).