N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine

C40H27NO — CID 170030263

IUPACN-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccc6oc7ccccc7c6c5c4)c3)cc2)cc1
InChIInChI=1S/C40H27NO/c1-3-10-28(11-4-1)29-18-20-30(21-19-29)32-12-9-15-34(26-32)41(33-13-5-2-6-14-33)35-24-22-31-23-25-39-40(37(31)27-35)36-16-7-8-17-38(36)42-39/h1-27H
InChIKeyGLILOINYTLEDMQ-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

About N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine

N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine (PubChem CID 170030263) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
PubChem CID170030263
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccc6oc7ccccc7c6c5c4)c3)cc2)cc1
InChIInChI=1S/C40H27NO/c1-3-10-28(11-4-1)29-18-20-30(21-19-29)32-12-9-15-34(26-32)41(33-13-5-2-6-14-33)35-24-22-31-23-25-39-40(37(31)27-35)36-16-7-8-17-38(36)42-39/h1-27H
InChIKeyGLILOINYTLEDMQ-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

N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-phenyl-N-[3-(4-phenylphenyl)phenyl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121635
5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765247
5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765183
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 177130958

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine?
The IUPAC name of N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine (CID 170030263) is N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine?
The canonical SMILES for N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccc6oc7ccccc7c6c5c4)c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine?
The InChIKey is GLILOINYTLEDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-3-10-28(11-4-1)29-18-20-30(21-19-29)32-12-9-15-34(26-32)41(33-13-5-2-6-14-33)35-24-22-31-23-25-39-40(37(31)27-35)36-16-7-8-17-38(36)42-39/h1-27H.
What are the key properties of N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine?
N-phenyl-N-[3-(4-phenylphenyl)phenyl]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-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine is sourced from PubChem (CID 170030263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).