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

C66H52N2 — CID 89067755

IUPAC7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C66H52N2/c1-65(2)61-40-45(26-36-57(61)59-38-34-55(43-63(59)65)67(51-20-10-6-11-21-51)52-22-12-7-13-23-52)24-25-46-27-37-58-60-39-35-56(44-64(60)66(3,4)62(58)41-46)68(54-33-30-48-18-14-15-19-50(48)42-54)53-31-28-49(29-32-53)47-16-8-5-9-17-47/h5-44H,1-4H3/b25-24+
InChIKeyWWJMMCMSKNDXJX-OCOZRVBESA-N
MW873.16 g/mol
LogP18.23
Rot. Bonds9

About 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

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 (PubChem CID 89067755) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
PubChem CID89067755
Molecular FormulaC66H52N2
Molecular Weight873.16 g/mol
Exact Mass872.41
IUPAC Name7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C66H52N2/c1-65(2)61-40-45(26-36-57(61)59-38-34-55(43-63(59)65)67(51-20-10-6-11-21-51)52-22-12-7-13-23-52)24-25-46-27-37-58-60-39-35-56(44-64(60)66(3,4)62(58)41-46)68(54-33-30-48-18-14-15-19-50(48)42-54)53-31-28-49(29-32-53)47-16-8-5-9-17-47/h5-44H,1-4H3/b25-24+
InChIKeyWWJMMCMSKNDXJX-OCOZRVBESA-N
XLogP18.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.16
LogP ≤ 518.23
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

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
9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine
CID 89067263
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-[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-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068180
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
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89067686
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 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?
The InChIKey is WWJMMCMSKNDXJX-OCOZRVBESA-N. The full InChI is InChI=1S/C66H52N2/c1-65(2)61-40-45(26-36-57(61)59-38-34-55(43-63(59)65)67(51-20-10-6-11-21-51)52-22-12-7-13-23-52)24-25-46-27-37-58-60-39-35-56(44-64(60)66(3,4)62(58)41-46)68(54-33-30-48-18-14-15-19-50(48)42-54)53-31-28-49(29-32-53)47-16-8-5-9-17-47/h5-44H,1-4H3/b25-24+.
What are the key properties of 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?
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 has a molecular weight of 873.16 g/mol, XLogP of 18.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89067755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).