N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine

C46H31NO — CID 172503063

IUPACN-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H31NO/c1-2-15-32(16-3-1)35-19-6-7-21-37(35)38-22-8-9-23-39(38)40-24-10-12-26-44(40)47(43-27-14-18-33-17-4-5-20-36(33)43)34-29-30-46-42(31-34)41-25-11-13-28-45(41)48-46/h1-31H
InChIKeyNSMVWYXXAMZUMI-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine

N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 172503063) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
PubChem CID172503063
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H31NO/c1-2-15-32(16-3-1)35-19-6-7-21-37(35)38-22-8-9-23-39(38)40-24-10-12-26-44(40)47(43-27-14-18-33-17-4-5-20-36(33)43)34-29-30-46-42(31-34)41-25-11-13-28-45(41)48-46/h1-31H
InChIKeyNSMVWYXXAMZUMI-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502268
N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168789935
N-dibenzofuran-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-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 170779228
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 170294786
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168790250
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-naphthalen-2-yl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788465
3-N-dibenzofuran-2-yl-3-N-(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-yl)-1-N-phenyl-1-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 170779522
N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
CID 167329955
1-N-(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-yl)-1-N,3-N-diphenyl-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 170779603
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine (CID 172503063) is N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is NSMVWYXXAMZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-2-15-32(16-3-1)35-19-6-7-21-37(35)38-22-8-9-23-39(38)40-24-10-12-26-44(40)47(43-27-14-18-33-17-4-5-20-36(33)43)34-29-30-46-42(31-34)41-25-11-13-28-45(41)48-46/h1-31H.
What are the key properties of N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 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-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 172503063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).