N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine

C44H29NO — CID 174256821

IUPACN-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2cccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-38(13-3-1)45(40-23-24-44-42(29-40)41-15-6-7-16-43(41)46-44)39-14-8-11-32(28-39)33-19-20-37-27-36(22-21-35(37)26-33)34-18-17-30-9-4-5-10-31(30)25-34/h1-29H
InChIKeyRASMNQDJNVSKON-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine

N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 174256821) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID174256821
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2cccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-38(13-3-1)45(40-23-24-44-42(29-40)41-15-6-7-16-43(41)46-44)39-14-8-11-32(28-39)33-19-20-37-27-36(22-21-35(37)26-33)34-18-17-30-9-4-5-10-31(30)25-34/h1-29H
InChIKeyRASMNQDJNVSKON-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine (CID 174256821) is N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine is c1ccc(N(c2cccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is RASMNQDJNVSKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-12-38(13-3-1)45(40-23-24-44-42(29-40)41-15-6-7-16-43(41)46-44)39-14-8-11-32(28-39)33-19-20-37-27-36(22-21-35(37)26-33)34-18-17-30-9-4-5-10-31(30)25-34/h1-29H.
What are the key properties of N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine?
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 174256821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).