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

C48H31NO — CID 174256131

IUPACN-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)cc5c4)cc3c2)cc1
InChIInChI=1S/C48H31NO/c1-2-9-32(10-3-1)36-20-17-33-18-21-37(28-39(33)27-36)38-22-19-34-23-24-41(30-40(34)29-38)49(46-15-8-12-35-11-4-5-13-43(35)46)42-25-26-45-44-14-6-7-16-47(44)50-48(45)31-42/h1-31H
InChIKeyRILJCNFAOPYLJY-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

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

N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine (PubChem CID 174256131) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
PubChem CID174256131
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)cc5c4)cc3c2)cc1
InChIInChI=1S/C48H31NO/c1-2-9-32(10-3-1)36-20-17-33-18-21-37(28-39(33)27-36)38-22-19-34-23-24-41(30-40(34)29-38)49(46-15-8-12-35-11-4-5-13-43(35)46)42-25-26-45-44-14-6-7-16-47(44)50-48(45)31-42/h1-31H
InChIKeyRILJCNFAOPYLJY-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-2-amine
CID 174256439
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779528
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325714
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
CID 146573619
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 160762815

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine (CID 174256131) is N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine is c1ccc(-c2ccc3ccc(-c4ccc5ccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7ccccc67)cc5c4)cc3c2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine?
The InChIKey is RILJCNFAOPYLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-9-32(10-3-1)36-20-17-33-18-21-37(28-39(33)27-36)38-22-19-34-23-24-41(30-40(34)29-38)49(46-15-8-12-35-11-4-5-13-43(35)46)42-25-26-45-44-14-6-7-16-47(44)50-48(45)31-42/h1-31H.
What are the key properties of N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine?
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-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-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine is sourced from PubChem (CID 174256131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).