N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C40H27NO — CID 170675430

IUPACN,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)ccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C40H27NO/c1-4-12-28(13-5-1)29-20-23-33(24-21-29)41(32-17-8-3-9-18-32)38-34(30-14-6-2-7-15-30)26-27-37-36-25-22-31-16-10-11-19-35(31)39(36)42-40(37)38/h1-27H
InChIKeyVTVFIYIBZUJBHE-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

About N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 170675430) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID170675430
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)ccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C40H27NO/c1-4-12-28(13-5-1)29-20-23-33(24-21-29)41(32-17-8-3-9-18-32)38-34(30-14-6-2-7-15-30)26-27-37-36-25-22-31-16-10-11-19-35(31)39(36)42-40(37)38/h1-27H
InChIKeyVTVFIYIBZUJBHE-UHFFFAOYSA-N
XLogP11.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167252596
4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170243095
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675705
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
N-phenyl-N,9-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170243077
9-N,10-N-diphenyl-9-N-(2-phenylphenyl)-10-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9,10-diamine
CID 166856414
N,8-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675105
8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856399
N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675548
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588419
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804010

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 170675430) is N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)ccc4c3oc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is VTVFIYIBZUJBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-4-12-28(13-5-1)29-20-23-33(24-21-29)41(32-17-8-3-9-18-32)38-34(30-14-6-2-7-15-30)26-27-37-36-25-22-31-16-10-11-19-35(31)39(36)42-40(37)38/h1-27H.
What are the key properties of N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 537.66 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 170675430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).