N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine

C53H39N — CID 164929594

IUPACN-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc3ccccc3c21
InChIInChI=1S/C53H39N/c1-53(2)49-24-14-13-23-48(49)51-50(35-42-21-11-12-22-47(42)52(51)53)54(45-29-27-39(28-30-45)41-26-25-38-19-9-10-20-40(38)31-41)46-33-43(36-15-5-3-6-16-36)32-44(34-46)37-17-7-4-8-18-37/h3-35H,1-2H3
InChIKeyWFEGBGYEBABIPU-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine

N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine (PubChem CID 164929594) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
PubChem CID164929594
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC NameN-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc3ccccc3c21
InChIInChI=1S/C53H39N/c1-53(2)49-24-14-13-23-48(49)51-50(35-42-21-11-12-22-47(42)52(51)53)54(45-29-27-39(28-30-45)41-26-25-38-19-9-10-20-40(38)31-41)46-33-43(36-15-5-3-6-16-36)32-44(34-46)37-17-7-4-8-18-37/h3-35H,1-2H3
InChIKeyWFEGBGYEBABIPU-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929438
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929206
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-1-yl)phenyl]-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929236
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]fluoren-6-amine
CID 164929576
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 164929204
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
CID 164929456

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine (CID 164929594) is N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc3ccccc3c21.
What is the InChIKey of N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine?
The InChIKey is WFEGBGYEBABIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)49-24-14-13-23-48(49)51-50(35-42-21-11-12-22-47(42)52(51)53)54(45-29-27-39(28-30-45)41-26-25-38-19-9-10-20-40(38)31-41)46-33-43(36-15-5-3-6-16-36)32-44(34-46)37-17-7-4-8-18-37/h3-35H,1-2H3.
What are the key properties of N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine?
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine is sourced from PubChem (CID 164929594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).