N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C56H41NO — CID 155440849

IUPACN-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESC1=CC(c2ccc(C3=C(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6c7ccccc7c(-c7ccc8ccccc8c7)cc6c45)CCC=C3)cc2)=CCC1
InChIInChI=1S/C56H41NO/c1-3-14-38(15-4-1)41-26-29-43(30-27-41)47-20-11-12-23-52(47)57(46-34-32-42(33-35-46)39-16-5-2-6-17-39)53-24-13-25-54-55(53)51-37-50(48-21-9-10-22-49(48)56(51)58-54)45-31-28-40-18-7-8-19-44(40)36-45/h2-3,5-11,13-22,24-37H,1,4,12,23H2
InChIKeySVXMJDHZONHLSN-UHFFFAOYSA-N
MW743.95 g/mol
LogP15.86
Rot. Bonds7

About N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 155440849) has the molecular formula C56H41NO and a molecular weight of 743.95 g/mol. Its IUPAC name is N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID155440849
Molecular FormulaC56H41NO
Molecular Weight743.95 g/mol
Exact Mass743.32
IUPAC NameN-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESC1=CC(c2ccc(C3=C(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6c7ccccc7c(-c7ccc8ccccc8c7)cc6c45)CCC=C3)cc2)=CCC1
InChIInChI=1S/C56H41NO/c1-3-14-38(15-4-1)41-26-29-43(30-27-41)47-20-11-12-23-52(47)57(46-34-32-42(33-35-46)39-16-5-2-6-17-39)53-24-13-25-54-55(53)51-37-50(48-21-9-10-22-49(48)56(51)58-54)45-31-28-40-18-7-8-19-44(40)36-45/h2-3,5-11,13-22,24-37H,1,4,12,23H2
InChIKeySVXMJDHZONHLSN-UHFFFAOYSA-N
XLogP15.86
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine with MolForge

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Related Compounds

5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 157311049
N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
N-naphthalen-1-yl-5-naphthalen-2-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423509
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738770
N-naphthalen-1-yl-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423840
N-(2,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737725
N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423284
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168805244
5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423502
5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 159658922

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 155440849) is N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is C1=CC(c2ccc(C3=C(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6c7ccccc7c(-c7ccc8ccccc8c7)cc6c45)CCC=C3)cc2)=CCC1.
What is the InChIKey of N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is SVXMJDHZONHLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NO/c1-3-14-38(15-4-1)41-26-29-43(30-27-41)47-20-11-12-23-52(47)57(46-34-32-42(33-35-46)39-16-5-2-6-17-39)53-24-13-25-54-55(53)51-37-50(48-21-9-10-22-49(48)56(51)58-54)45-31-28-40-18-7-8-19-44(40)36-45/h2-3,5-11,13-22,24-37H,1,4,12,23H2.
What are the key properties of N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 743.95 g/mol, XLogP of 15.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)cyclohexa-1,3-dien-1-yl]-5-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 155440849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).