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

C46H31NO — CID 168789935

IUPACN-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3oc4ccccc4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H31NO/c1-3-15-32(16-4-1)36-21-9-10-24-40(36)46-38(34-17-5-2-6-18-34)25-14-27-43(46)47(42-26-13-20-33-19-7-8-22-37(33)42)35-29-30-45-41(31-35)39-23-11-12-28-44(39)48-45/h1-31H
InChIKeyTXCPUIMMSPPPCK-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

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

N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 168789935) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID168789935
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3oc4ccccc4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C46H31NO/c1-3-15-32(16-4-1)36-21-9-10-24-40(36)46-38(34-17-5-2-6-18-34)25-14-27-43(46)47(42-26-13-20-33-19-7-8-22-37(33)42)35-29-30-45-41(31-35)39-23-11-12-28-44(39)48-45/h1-31H
InChIKeyTXCPUIMMSPPPCK-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-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502268
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-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788465
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168788997
N-(4-phenylphenyl)-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168789012
N-[4-(4-phenylphenyl)phenyl]-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788653
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 169064041
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827
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-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790288

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 168789935) is N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc3oc4ccccc4c3c2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is TXCPUIMMSPPPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-15-32(16-4-1)36-21-9-10-24-40(36)46-38(34-17-5-2-6-18-34)25-14-27-43(46)47(42-26-13-20-33-19-7-8-22-37(33)42)35-29-30-45-41(31-35)39-23-11-12-28-44(39)48-45/h1-31H.
What are the key properties of N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)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-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 168789935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).