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

C80H60N2 — CID 59246200

IUPAC7-[(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
SMILESCC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C80H60N2/c1-79(2)73-47-55(35-43-69(73)71-45-41-65(51-75(71)79)81(63-39-37-57-15-5-7-19-61(57)49-63)77-25-13-21-59-17-9-11-23-67(59)77)33-31-53-27-29-54(30-28-53)32-34-56-36-44-70-72-46-42-66(52-76(72)80(3,4)74(70)48-56)82(64-40-38-58-16-6-8-20-62(58)50-64)78-26-14-22-60-18-10-12-24-68(60)78/h5-52H,1-4H3/b33-31+,34-32+
InChIKeyDSZROVJABNRMKX-FMWAKIAMSA-N
MW1049.37 g/mol
LogP22.19
Rot. Bonds10

About 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

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 (PubChem CID 59246200) has the molecular formula C80H60N2 and a molecular weight of 1049.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(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
PubChem CID59246200
Molecular FormulaC80H60N2
Molecular Weight1049.37 g/mol
Exact Mass1048.48
IUPAC Name7-[(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
SMILESCC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C80H60N2/c1-79(2)73-47-55(35-43-69(73)71-45-41-65(51-75(71)79)81(63-39-37-57-15-5-7-19-61(57)49-63)77-25-13-21-59-17-9-11-23-67(59)77)33-31-53-27-29-54(30-28-53)32-34-56-36-44-70-72-46-42-66(52-76(72)80(3,4)74(70)48-56)82(64-40-38-58-16-6-8-20-62(58)50-64)78-26-14-22-60-18-10-12-24-68(60)78/h5-52H,1-4H3/b33-31+,34-32+
InChIKeyDSZROVJABNRMKX-FMWAKIAMSA-N
XLogP22.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.37
LogP ≤ 522.19
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-[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 with MolForge

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Related Compounds

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-[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-(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-[(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-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043
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
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
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-[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-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 158018910
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc7ccccc7c6)c6cccc7ccccc67)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc21.
What is the InChIKey of 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?
The InChIKey is DSZROVJABNRMKX-FMWAKIAMSA-N. The full InChI is InChI=1S/C80H60N2/c1-79(2)73-47-55(35-43-69(73)71-45-41-65(51-75(71)79)81(63-39-37-57-15-5-7-19-61(57)49-63)77-25-13-21-59-17-9-11-23-67(59)77)33-31-53-27-29-54(30-28-53)32-34-56-36-44-70-72-46-42-66(52-76(72)80(3,4)74(70)48-56)82(64-40-38-58-16-6-8-20-62(58)50-64)78-26-14-22-60-18-10-12-24-68(60)78/h5-52H,1-4H3/b33-31+,34-32+.
What are the key properties of 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?
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 has a molecular weight of 1049.37 g/mol, XLogP of 22.19, 10 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-[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 is sourced from PubChem (CID 59246200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).