9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine

C49H42N2 — CID 89068124

IUPAC9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
SMILESCc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1-2)c1ccccc1C
InChIInChI=1S/C49H42N2/c1-35-15-11-13-21-47(35)51(48-22-14-12-16-36(48)2)42-30-32-44-43-31-27-38(33-45(43)49(3,4)46(44)34-42)24-23-37-25-28-41(29-26-37)50(39-17-7-5-8-18-39)40-19-9-6-10-20-40/h5-34H,1-4H3/b24-23+
InChIKeyDFBHYFZVVXVLSA-WCWDXBQESA-N
MW658.89 g/mol
LogP13.72
Rot. Bonds8

About 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine

9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine (PubChem CID 89068124) has the molecular formula C49H42N2 and a molecular weight of 658.89 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
PubChem CID89068124
Molecular FormulaC49H42N2
Molecular Weight658.89 g/mol
Exact Mass658.33
IUPAC Name9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
SMILESCc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1-2)c1ccccc1C
InChIInChI=1S/C49H42N2/c1-35-15-11-13-21-47(35)51(48-22-14-12-16-36(48)2)42-30-32-44-43-31-27-38(33-45(43)49(3,4)46(44)34-42)24-23-37-25-28-41(29-26-37)50(39-17-7-5-8-18-39)40-19-9-6-10-20-40/h5-34H,1-4H3/b24-23+
InChIKeyDFBHYFZVVXVLSA-WCWDXBQESA-N
XLogP13.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.89
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine with MolForge

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Related Compounds

7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
CID 59246550
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-[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
N-(3,5-dimethylphenyl)-7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-2-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 89068057
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline
CID 123509088
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 59246059
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
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
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine (CID 89068124) is 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine is Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1-2)c1ccccc1C.
What is the InChIKey of 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?
The InChIKey is DFBHYFZVVXVLSA-WCWDXBQESA-N. The full InChI is InChI=1S/C49H42N2/c1-35-15-11-13-21-47(35)51(48-22-14-12-16-36(48)2)42-30-32-44-43-31-27-38(33-45(43)49(3,4)46(44)34-42)24-23-37-25-28-41(29-26-37)50(39-17-7-5-8-18-39)40-19-9-6-10-20-40/h5-34H,1-4H3/b24-23+.
What are the key properties of 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine?
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine has a molecular weight of 658.89 g/mol, XLogP of 13.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 89068124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).