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

C46H31NO — CID 172501948

IUPACN-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3ccccc3c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C46H31NO/c1-2-16-33(17-3-1)36-19-6-7-20-37(36)38-21-8-9-22-39(38)40-23-10-12-25-42(40)47(35-30-29-32-15-4-5-18-34(32)31-35)43-26-14-28-45-46(43)41-24-11-13-27-44(41)48-45/h1-31H
InChIKeyYRPBMFKYMWYTRQ-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

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

N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 172501948) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID172501948
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3ccccc3c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C46H31NO/c1-2-16-33(17-3-1)36-19-6-7-20-37(36)38-21-8-9-22-39(38)40-23-10-12-25-42(40)47(35-30-29-32-15-4-5-18-34(32)31-35)43-26-14-28-45-46(43)41-24-11-13-27-44(41)48-45/h1-31H
InChIKeyYRPBMFKYMWYTRQ-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-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
CID 172503017
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
2-dibenzofuran-1-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167325982
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167324675
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
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-naphthalen-2-yl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788465
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-naphthalen-2-yl-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502504

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine (CID 172501948) is N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3ccccc3c2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is YRPBMFKYMWYTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-2-16-33(17-3-1)36-19-6-7-20-37(36)38-21-8-9-22-39(38)40-23-10-12-25-42(40)47(35-30-29-32-15-4-5-18-34(32)31-35)43-26-14-28-45-46(43)41-24-11-13-27-44(41)48-45/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine?
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-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-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 172501948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).