4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline

C34H23NO — CID 168899493

IUPAC4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc4ccccc4c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C34H23NO/c1-2-9-26(10-3-1)35-27-18-14-24(15-19-27)29-20-16-23-8-4-5-11-28(23)34(29)25-17-21-31-30-12-6-7-13-32(30)36-33(31)22-25/h1-22,35H
InChIKeyMYIXPRGRZRWLIO-UHFFFAOYSA-N
MW461.56 g/mol
LogP9.82
Rot. Bonds4

About 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline

4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline (PubChem CID 168899493) has the molecular formula C34H23NO and a molecular weight of 461.56 g/mol. Its IUPAC name is 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline.

Molecular Properties

Compound Name4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline
PubChem CID168899493
Molecular FormulaC34H23NO
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC Name4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc4ccccc4c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C34H23NO/c1-2-9-26(10-3-1)35-27-18-14-24(15-19-27)29-20-16-23-8-4-5-11-28(23)34(29)25-17-21-31-30-12-6-7-13-32(30)36-33(31)22-25/h1-22,35H
InChIKeyMYIXPRGRZRWLIO-UHFFFAOYSA-N
XLogP9.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 129099084
N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176588207
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170133817
N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
CID 139544912
3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran
CID 121287519
3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran
CID 174107449
4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline
CID 164934515
3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran
CID 169040050
3-naphthalen-2-yldibenzofuran
CID 68932481
4-[3-(4-anilinophenyl)-5-phenylphenyl]-N-phenylaniline;N-[4-[3-(4-anilinophenyl)-5-phenylphenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 157486265

Frequently Asked Questions

What is the IUPAC name of 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline?
The IUPAC name of 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline (CID 168899493) is 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline.
What is the SMILES notation for 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline?
The canonical SMILES for 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline is c1ccc(Nc2ccc(-c3ccc4ccccc4c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline?
The InChIKey is MYIXPRGRZRWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NO/c1-2-9-26(10-3-1)35-27-18-14-24(15-19-27)29-20-16-23-8-4-5-11-28(23)34(29)25-17-21-31-30-12-6-7-13-32(30)36-33(31)22-25/h1-22,35H.
What are the key properties of 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline?
4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline has a molecular weight of 461.56 g/mol, XLogP of 9.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dibenzofuran-3-ylnaphthalen-2-yl)-N-phenylaniline is sourced from PubChem (CID 168899493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).