N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine

C40H29NO — CID 130240746

IUPACN-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine
SMILESC1=CC(N(c2ccc3oc4c(-c5cccc(-c6ccccc6)c5)cccc4c3c2)c2cccc3ccccc23)=CCC1
InChIInChI=1S/C40H29NO/c1-3-12-28(13-4-1)30-16-9-17-31(26-30)35-21-11-22-36-37-27-33(24-25-39(37)42-40(35)36)41(32-18-5-2-6-19-32)38-23-10-15-29-14-7-8-20-34(29)38/h1,3-5,7-27H,2,6H2
InChIKeyXADOIOPTVQGEER-UHFFFAOYSA-N
MW539.68 g/mol
LogP11.45
Rot. Bonds5

About N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine

N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 130240746) has the molecular formula C40H29NO and a molecular weight of 539.68 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID130240746
Molecular FormulaC40H29NO
Molecular Weight539.68 g/mol
Exact Mass539.22
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine
SMILESC1=CC(N(c2ccc3oc4c(-c5cccc(-c6ccccc6)c5)cccc4c3c2)c2cccc3ccccc23)=CCC1
InChIInChI=1S/C40H29NO/c1-3-12-28(13-4-1)30-16-9-17-31(26-30)35-21-11-22-36-37-27-33(24-25-39(37)42-40(35)36)41(32-18-5-2-6-19-32)38-23-10-15-29-14-7-8-20-34(29)38/h1,3-5,7-27H,2,6H2
InChIKeyXADOIOPTVQGEER-UHFFFAOYSA-N
XLogP11.45
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805257
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 160744349
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine
CID 168805250
2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
CID 126709658
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;8-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160881655
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine (CID 130240746) is N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine is C1=CC(N(c2ccc3oc4c(-c5cccc(-c6ccccc6)c5)cccc4c3c2)c2cccc3ccccc23)=CCC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is XADOIOPTVQGEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29NO/c1-3-12-28(13-4-1)30-16-9-17-31(26-30)35-21-11-22-36-37-27-33(24-25-39(37)42-40(35)36)41(32-18-5-2-6-19-32)38-23-10-15-29-14-7-8-20-34(29)38/h1,3-5,7-27H,2,6H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine?
N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 539.68 g/mol, XLogP of 11.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 130240746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).