3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine

C52H35NO — CID 177130844

IUPAC3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccc7cc(-c8ccccc8)ccc7c6c45)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-11-36(12-5-1)39-19-21-40(22-20-39)42-25-31-46(32-26-42)53(45-29-23-41(24-30-45)37-13-6-2-7-14-37)48-17-10-18-49-52(48)51-47-33-27-43(38-15-8-3-9-16-38)35-44(47)28-34-50(51)54-49/h1-35H
InChIKeySWSQCVVXVKRJRB-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine

3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 177130844) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound Name3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID177130844
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccc7cc(-c8ccccc8)ccc7c6c45)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-11-36(12-5-1)39-19-21-40(22-20-39)42-25-31-46(32-26-42)53(45-29-23-41(24-30-45)37-13-6-2-7-14-37)48-17-10-18-49-52(48)51-47-33-27-43(38-15-8-3-9-16-38)35-44(47)28-34-50(51)54-49/h1-35H
InChIKeySWSQCVVXVKRJRB-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine with MolForge

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Related Compounds

N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 167183317
N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176808370
6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
CID 102362989
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167397321
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-dibenzofuran-2-yl-N,3-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131058
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-(4-naphthalen-2-ylphenyl)-N,3-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177131034
N-(4-phenanthren-3-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810700
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine (CID 177130844) is 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccc7cc(-c8ccccc8)ccc7c6c45)cc3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is SWSQCVVXVKRJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-11-36(12-5-1)39-19-21-40(22-20-39)42-25-31-46(32-26-42)53(45-29-23-41(24-30-45)37-13-6-2-7-14-37)48-17-10-18-49-52(48)51-47-33-27-43(38-15-8-3-9-16-38)35-44(47)28-34-50(51)54-49/h1-35H.
What are the key properties of 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 177130844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).