8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine

C40H27NO — CID 176760060

IUPAC8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3oc4cccc(Nc5ccccc5-c5ccc(-c6ccccc6)c6ccccc56)c4c3c2)cc1
InChIInChI=1S/C40H27NO/c1-3-12-27(13-4-1)29-22-25-38-35(26-29)40-37(20-11-21-39(40)42-38)41-36-19-10-9-18-34(36)33-24-23-30(28-14-5-2-6-15-28)31-16-7-8-17-32(31)33/h1-26,41H
InChIKeyHCJBEZZYGTWRFZ-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.48
Rot. Bonds5

About 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine

8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 176760060) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
PubChem CID176760060
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC Name8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3oc4cccc(Nc5ccccc5-c5ccc(-c6ccccc6)c6ccccc56)c4c3c2)cc1
InChIInChI=1S/C40H27NO/c1-3-12-27(13-4-1)29-22-25-38-35(26-29)40-37(20-11-21-39(40)42-38)41-36-19-10-9-18-34(36)33-24-23-30(28-14-5-2-6-15-28)31-16-7-8-17-32(31)33/h1-26,41H
InChIKeyHCJBEZZYGTWRFZ-UHFFFAOYSA-N
XLogP11.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 511.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-diphenylphenyl)dibenzofuran-1-amine
CID 176844480
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine
CID 176759845
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
N-(8-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 176759764
8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 135233850
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 168759232
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine
CID 176760037

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (CID 176760060) is 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc3oc4cccc(Nc5ccccc5-c5ccc(-c6ccccc6)c6ccccc56)c4c3c2)cc1.
What is the InChIKey of 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is HCJBEZZYGTWRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-3-12-27(13-4-1)29-22-25-38-35(26-29)40-37(20-11-21-39(40)42-38)41-36-19-10-9-18-34(36)33-24-23-30(28-14-5-2-6-15-28)31-16-7-8-17-32(31)33/h1-26,41H.
What are the key properties of 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 537.66 g/mol, XLogP of 11.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176760060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).