N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine

C42H31NO — CID 145067582

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine
SMILESCc1ccccc1-c1cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc3ccccc23)ccc1C
InChIInChI=1S/C42H31NO/c1-28-10-3-5-13-35(28)38-27-34(22-18-29(38)2)43(40-16-9-12-31-11-4-6-14-36(31)40)33-23-19-30(20-24-33)32-21-25-42-39(26-32)37-15-7-8-17-41(37)44-42/h3-27H,1-2H3
InChIKeyHVSLJZSFFSBGLF-UHFFFAOYSA-N
MW565.72 g/mol
LogP12.16
Rot. Bonds5

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine (PubChem CID 145067582) has the molecular formula C42H31NO and a molecular weight of 565.72 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine
PubChem CID145067582
Molecular FormulaC42H31NO
Molecular Weight565.72 g/mol
Exact Mass565.24
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine
SMILESCc1ccccc1-c1cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc3ccccc23)ccc1C
InChIInChI=1S/C42H31NO/c1-28-10-3-5-13-35(28)38-27-34(22-18-29(38)2)43(40-16-9-12-31-11-4-6-14-36(31)40)33-23-19-30(20-24-33)32-21-25-42-39(26-32)37-15-7-8-17-41(37)44-42/h3-27H,1-2H3
InChIKeyHVSLJZSFFSBGLF-UHFFFAOYSA-N
XLogP12.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604922
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 138488794
3-N-(4-dibenzofuran-2-ylphenyl)-1-N,5-N-bis(3-methylphenyl)-3-N-naphthalen-1-yl-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 139393622
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186570
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 147363119
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157298586

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine (CID 145067582) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine is Cc1ccccc1-c1cc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cccc3ccccc23)ccc1C.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is HVSLJZSFFSBGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31NO/c1-28-10-3-5-13-35(28)38-27-34(22-18-29(38)2)43(40-16-9-12-31-11-4-6-14-36(31)40)33-23-19-30(20-24-33)32-21-25-42-39(26-32)37-15-7-8-17-41(37)44-42/h3-27H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 565.72 g/mol, XLogP of 12.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 145067582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).