N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine

C40H27NO — CID 177130948

IUPACN,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4ccc5oc6c(-c7ccccc7)cccc6c5c4c3)c2)cc1
InChIInChI=1S/C40H27NO/c1-4-12-28(13-5-1)31-16-10-19-33(26-31)41(32-17-8-3-9-18-32)34-24-22-30-23-25-38-39(37(30)27-34)36-21-11-20-35(40(36)42-38)29-14-6-2-7-15-29/h1-27H
InChIKeyJBBYWXBZDBTLDO-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

About N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine

N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine (PubChem CID 177130948) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
PubChem CID177130948
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4ccc5oc6c(-c7ccccc7)cccc6c5c4c3)c2)cc1
InChIInChI=1S/C40H27NO/c1-4-12-28(13-5-1)31-16-10-19-33(26-31)41(32-17-8-3-9-18-32)34-24-22-30-23-25-38-39(37(30)27-34)36-21-11-20-35(40(36)42-38)29-14-6-2-7-15-29/h1-27H
InChIKeyJBBYWXBZDBTLDO-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

3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167329469
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 166938977
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129
3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170032090

Frequently Asked Questions

What is the IUPAC name of N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
The IUPAC name of N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine (CID 177130948) is N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine.
What is the SMILES notation for N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
The canonical SMILES for N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4ccc5oc6c(-c7ccccc7)cccc6c5c4c3)c2)cc1.
What is the InChIKey of N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
The InChIKey is JBBYWXBZDBTLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-4-12-28(13-5-1)31-16-10-19-33(26-31)41(32-17-8-3-9-18-32)34-24-22-30-23-25-38-39(37(30)27-34)36-21-11-20-35(40(36)42-38)29-14-6-2-7-15-29/h1-27H.
What are the key properties of N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-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,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine is sourced from PubChem (CID 177130948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).