N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine

C48H31NO — CID 174256672

IUPACN-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1cc(-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)cc(N(c2cccc3ccccc23)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C48H31NO/c1-2-12-35-28-37(25-22-32(35)10-1)39-27-24-33-23-26-38(29-40(33)30-39)36-14-7-15-41(31-36)49(44-18-8-13-34-11-3-4-16-42(34)44)45-19-9-21-47-48(45)43-17-5-6-20-46(43)50-47/h1-31H
InChIKeyKPHYLSMYWCWMNB-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine

N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine (PubChem CID 174256672) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
PubChem CID174256672
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1cc(-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)cc(N(c2cccc3ccccc23)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C48H31NO/c1-2-12-35-28-37(25-22-32(35)10-1)39-27-24-33-23-26-38(29-40(33)30-39)36-14-7-15-41(31-36)49(44-18-8-13-34-11-3-4-16-42(34)44)45-19-9-21-47-48(45)43-17-5-6-20-46(43)50-47/h1-31H
InChIKeyKPHYLSMYWCWMNB-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 167324150
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234579
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
N-(2-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810557

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine (CID 174256672) is N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine is c1cc(-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)cc(N(c2cccc3ccccc23)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is KPHYLSMYWCWMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-12-35-28-37(25-22-32(35)10-1)39-27-24-33-23-26-38(29-40(33)30-39)36-14-7-15-41(31-36)49(44-18-8-13-34-11-3-4-16-42(34)44)45-19-9-21-47-48(45)43-17-5-6-20-46(43)50-47/h1-31H.
What are the key properties of N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine?
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 174256672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).