11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine

C49H37N — CID 169280252

IUPAC11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C49H37N/c1-49(2)43-28-16-14-27-42(43)46-45(37-22-10-5-11-23-37)48(41-26-13-12-25-40(41)47(46)49)50(38-32-30-35(31-33-38)34-18-6-3-7-19-34)44-29-17-15-24-39(44)36-20-8-4-9-21-36/h3-33H,1-2H3
InChIKeyQHSPVASNBPVRPE-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About 11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine

11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine (PubChem CID 169280252) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine.

Molecular Properties

Compound Name11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
PubChem CID169280252
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C49H37N/c1-49(2)43-28-16-14-27-42(43)46-45(37-22-10-5-11-23-37)48(41-26-13-12-25-40(41)47(46)49)50(38-32-30-35(31-33-38)34-18-6-3-7-19-34)44-29-17-15-24-39(44)36-20-8-4-9-21-36/h3-33H,1-2H3
InChIKeyQHSPVASNBPVRPE-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-6-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280476
11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280399
N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline
CID 169280371
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine
CID 169280630
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-[4-[11,11-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine
CID 170372841
11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280503
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoren-4-amine
CID 139499292

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
The IUPAC name of 11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine (CID 169280252) is 11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine.
What is the SMILES notation for 11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
The canonical SMILES for 11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3)c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
The InChIKey is QHSPVASNBPVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)43-28-16-14-27-42(43)46-45(37-22-10-5-11-23-37)48(41-26-13-12-25-40(41)47(46)49)50(38-32-30-35(31-33-38)34-18-6-3-7-19-34)44-29-17-15-24-39(44)36-20-8-4-9-21-36/h3-33H,1-2H3.
What are the key properties of 11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
11,11-dimethyl-6-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-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine is sourced from PubChem (CID 169280252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).