N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine

C53H37NO — CID 170412726

IUPACN-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5oc6ccccc6c45)c4ccccc34)cc3ccccc3c21
InChIInChI=1S/C53H37NO/c1-53(2)45-26-12-10-24-42(45)50-44(33-36-18-6-7-21-38(36)52(50)53)40-30-31-46(41-23-9-8-22-39(40)41)54(37-20-14-19-35(32-37)34-16-4-3-5-17-34)47-27-15-29-49-51(47)43-25-11-13-28-48(43)55-49/h3-33H,1-2H3
InChIKeyNOTQZUXBPZSLLO-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine

N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 170412726) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine
PubChem CID170412726
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5oc6ccccc6c45)c4ccccc34)cc3ccccc3c21
InChIInChI=1S/C53H37NO/c1-53(2)45-26-12-10-24-42(45)50-44(33-36-18-6-7-21-38(36)52(50)53)40-30-31-46(41-23-9-8-22-39(40)41)54(37-20-14-19-35(32-37)34-16-4-3-5-17-34)47-27-15-29-49-51(47)43-25-11-13-28-48(43)55-49/h3-33H,1-2H3
InChIKeyNOTQZUXBPZSLLO-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine
CID 170412509
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170412528
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280624
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170413017
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 164929204
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280769
12,12-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-7-amine
CID 134393055
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N,9,9-triphenylfluoren-4-amine
CID 170412534
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324263
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328

Frequently Asked Questions

What is the IUPAC name of N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine (CID 170412726) is N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5oc6ccccc6c45)c4ccccc34)cc3ccccc3c21.
What is the InChIKey of N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is NOTQZUXBPZSLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)45-26-12-10-24-42(45)50-44(33-36-18-6-7-21-38(36)52(50)53)40-30-31-46(41-23-9-8-22-39(40)41)54(37-20-14-19-35(32-37)34-16-4-3-5-17-34)47-27-15-29-49-51(47)43-25-11-13-28-48(43)55-49/h3-33H,1-2H3.
What are the key properties of N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 703.89 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 170412726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).