11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine

C49H37N — CID 170373009

IUPAC11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C49H37N/c1-49(2)45-32-38(35-18-8-4-9-19-35)28-31-41(45)44-33-47(42-23-12-13-24-43(42)48(44)49)50(39-29-26-36(27-30-39)34-16-6-3-7-17-34)46-25-15-14-22-40(46)37-20-10-5-11-21-37/h3-33H,1-2H3
InChIKeyFHNJOVGGFBKIEP-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine

11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine (PubChem CID 170373009) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine.

Molecular Properties

Compound Name11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
PubChem CID170373009
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C49H37N/c1-49(2)45-32-38(35-18-8-4-9-19-35)28-31-41(45)44-33-47(42-23-12-13-24-43(42)48(44)49)50(39-29-26-36(27-30-39)34-16-6-3-7-17-34)46-25-15-14-22-40(46)37-20-10-5-11-21-37/h3-33H,1-2H3
InChIKeyFHNJOVGGFBKIEP-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-N,9-diphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
CID 170372991
8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373636
11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine
CID 170372841
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
CID 167527111
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine
CID 166987766
6,6,12,12-tetramethyl-7,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455841
N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372753
2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 167197240

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
The IUPAC name of 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine (CID 170373009) is 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine.
What is the SMILES notation for 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
The canonical SMILES for 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
The InChIKey is FHNJOVGGFBKIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)45-32-38(35-18-8-4-9-19-35)28-31-41(45)44-33-47(42-23-12-13-24-43(42)48(44)49)50(39-29-26-36(27-30-39)34-16-6-3-7-17-34)46-25-15-14-22-40(46)37-20-10-5-11-21-37/h3-33H,1-2H3.
What are the key properties of 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine has a molecular weight of 639.84 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine is sourced from PubChem (CID 170373009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).