4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine

C41H31N — CID 170412509

IUPAC4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)cc3ccccc3c21
InChIInChI=1S/C41H31N/c1-41(2)37-24-14-13-23-35(37)39-36(27-28-15-9-10-20-31(28)40(39)41)33-25-26-38(34-22-12-11-21-32(33)34)42(29-16-5-3-6-17-29)30-18-7-4-8-19-30/h3-27H,1-2H3
InChIKeyARDJYGAUZNYXKY-UHFFFAOYSA-N
MW537.71 g/mol
LogP11.44
Rot. Bonds4

About 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine

4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine (PubChem CID 170412509) has the molecular formula C41H31N and a molecular weight of 537.71 g/mol. Its IUPAC name is 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine
PubChem CID170412509
Molecular FormulaC41H31N
Molecular Weight537.71 g/mol
Exact Mass537.25
IUPAC Name4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)cc3ccccc3c21
InChIInChI=1S/C41H31N/c1-41(2)37-24-14-13-23-35(37)39-36(27-28-15-9-10-20-31(28)40(39)41)33-25-26-38(34-22-12-11-21-32(33)34)42(29-16-5-3-6-17-29)30-18-7-4-8-19-30/h3-27H,1-2H3
InChIKeyARDJYGAUZNYXKY-UHFFFAOYSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170412528
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N,9,9-triphenylfluoren-4-amine
CID 170412534
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170412674
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 170412726
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-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 164929204
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929438
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929236
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine
CID 164929478
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine?
The IUPAC name of 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine (CID 170412509) is 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine.
What is the SMILES notation for 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine?
The canonical SMILES for 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)cc3ccccc3c21.
What is the InChIKey of 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine?
The InChIKey is ARDJYGAUZNYXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N/c1-41(2)37-24-14-13-23-35(37)39-36(27-28-15-9-10-20-31(28)40(39)41)33-25-26-38(34-22-12-11-21-32(33)34)42(29-16-5-3-6-17-29)30-18-7-4-8-19-30/h3-27H,1-2H3.
What are the key properties of 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine?
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine has a molecular weight of 537.71 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine is sourced from PubChem (CID 170412509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).