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

C84H63N2P — CID 59246183

IUPAC7-[(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
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7cccc8ccccc78)ccc5-6)ccc3p4-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C84H63N2P/c1-83(2)75-52-58(38-44-69(75)71-46-42-64(54-77(71)83)85(62-24-8-5-9-25-62)79-32-18-22-60-20-14-16-30-67(60)79)36-34-56-40-48-81-73(50-56)74-51-57(41-49-82(74)87(81)66-28-12-7-13-29-66)35-37-59-39-45-70-72-47-43-65(55-78(72)84(3,4)76(70)53-59)86(63-26-10-6-11-27-63)80-33-19-23-61-21-15-17-31-68(61)80/h5-55H,1-4H3/b36-34+,37-35+
InChIKeyNMABHFPUQDOTMR-VHJMTFITSA-N
MW1131.42 g/mol
LogP24.17
Rot. Bonds11

About 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

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 (PubChem CID 59246183) 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-1-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name7-[(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
PubChem CID59246183
Molecular FormulaC84H63N2P
Molecular Weight1131.42 g/mol
Exact Mass1130.47
IUPAC Name7-[(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
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7cccc8ccccc78)ccc5-6)ccc3p4-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C84H63N2P/c1-83(2)75-52-58(38-44-69(75)71-46-42-64(54-77(71)83)85(62-24-8-5-9-25-62)79-32-18-22-60-20-14-16-30-67(60)79)36-34-56-40-48-81-73(50-56)74-51-57(41-49-82(74)87(81)66-28-12-7-13-29-66)35-37-59-39-45-70-72-47-43-65(55-78(72)84(3,4)76(70)53-59)86(63-26-10-6-11-27-63)80-33-19-23-61-21-15-17-31-68(61)80/h5-55H,1-4H3/b36-34+,37-35+
InChIKeyNMABHFPUQDOTMR-VHJMTFITSA-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-1-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-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-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
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
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
9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043
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
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-[(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-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 89068019
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-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067766
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(/C=C/c3ccc4c(c3)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7cccc8ccccc78)ccc5-6)ccc3p4-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.
What is the InChIKey of 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?
The InChIKey is NMABHFPUQDOTMR-VHJMTFITSA-N. The full InChI is InChI=1S/C84H63N2P/c1-83(2)75-52-58(38-44-69(75)71-46-42-64(54-77(71)83)85(62-24-8-5-9-25-62)79-32-18-22-60-20-14-16-30-67(60)79)36-34-56-40-48-81-73(50-56)74-51-57(41-49-82(74)87(81)66-28-12-7-13-29-66)35-37-59-39-45-70-72-47-43-65(55-78(72)84(3,4)76(70)53-59)86(63-26-10-6-11-27-63)80-33-19-23-61-21-15-17-31-68(61)80/h5-55H,1-4H3/b36-34+,37-35+.
What are the key properties of 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?
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 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-1-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine is sourced from PubChem (CID 59246183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).