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

C49H37N — CID 169280503

IUPAC11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3c21
InChIInChI=1S/C49H37N/c1-49(2)46-21-13-12-20-43(46)47-44(38-18-10-5-11-19-38)32-39-26-31-42(33-45(39)48(47)49)50(40-27-22-36(23-28-40)34-14-6-3-7-15-34)41-29-24-37(25-30-41)35-16-8-4-9-17-35/h3-33H,1-2H3
InChIKeyZFOLIEFVOTUESL-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

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

11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine (PubChem CID 169280503) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine.

Molecular Properties

Compound Name11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
PubChem CID169280503
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3c21
InChIInChI=1S/C49H37N/c1-49(2)46-21-13-12-20-43(46)47-44(38-18-10-5-11-19-38)32-39-26-31-42(33-45(39)48(47)49)50(40-27-22-36(23-28-40)34-14-6-3-7-15-34)41-29-24-37(25-30-41)35-16-8-4-9-17-35/h3-33H,1-2H3
InChIKeyZFOLIEFVOTUESL-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

N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280540
N-[4-(11,11-dimethyl-9-phenylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170373595
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 164929204
N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232505
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139363610
11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280399
16,16-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-amine
CID 164721855
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
CID 169285470
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
CID 169285597

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine?
The IUPAC name of 11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine (CID 169280503) is 11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine.
What is the SMILES notation for 11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine?
The canonical SMILES for 11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3)cc3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3c21.
What is the InChIKey of 11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine?
The InChIKey is ZFOLIEFVOTUESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)46-21-13-12-20-43(46)47-44(38-18-10-5-11-19-38)32-39-26-31-42(33-45(39)48(47)49)50(40-27-22-36(23-28-40)34-14-6-3-7-15-34)41-29-24-37(25-30-41)35-16-8-4-9-17-35/h3-33H,1-2H3.
What are the key properties of 11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine?
11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-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,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine is sourced from PubChem (CID 169280503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).