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

C47H35N — CID 169280399

IUPAC11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)c3ccccc3c21
InChIInChI=1S/C47H35N/c1-47(2)42-24-14-13-23-41(42)44-43(35-18-7-4-8-19-35)46(40-22-12-11-21-39(40)45(44)47)48(38-30-27-33-17-9-10-20-36(33)31-38)37-28-25-34(26-29-37)32-15-5-3-6-16-32/h3-31H,1-2H3
InChIKeySLGQZNTZRIKYLU-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.10
Rot. Bonds5

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

11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine (PubChem CID 169280399) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine.

Molecular Properties

Compound Name11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
PubChem CID169280399
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)c3ccccc3c21
InChIInChI=1S/C47H35N/c1-47(2)42-24-14-13-23-41(42)44-43(35-18-7-4-8-19-35)46(40-22-12-11-21-39(40)45(44)47)48(38-30-27-33-17-9-10-20-36(33)31-38)37-28-25-34(26-29-37)32-15-5-3-6-16-32/h3-31H,1-2H3
InChIKeySLGQZNTZRIKYLU-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 513.10
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
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280252
(2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine
CID 174122253
11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280503
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
10-N,10-N-bis[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine
CID 138667147
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline
CID 169280371
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
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
6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine
CID 169280630

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
The IUPAC name of 11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine (CID 169280399) is 11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine.
What is the SMILES notation for 11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
The canonical SMILES for 11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3)c(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)c3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
The InChIKey is SLGQZNTZRIKYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)42-24-14-13-23-41(42)44-43(35-18-7-4-8-19-35)46(40-22-12-11-21-39(40)45(44)47)48(38-30-27-33-17-9-10-20-36(33)31-38)37-28-25-34(26-29-37)32-15-5-3-6-16-32/h3-31H,1-2H3.
What are the key properties of 11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine?
11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine has a molecular weight of 613.80 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine is sourced from PubChem (CID 169280399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).