10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C44H31NO — CID 170241321

IUPAC10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESC1=CCC(c2cc3c(cc2N(c2ccc(-c4ccccc4)cc2)c2ccc4ccccc4c2)oc2ccc4ccccc4c23)C=C1
InChIInChI=1S/C44H31NO/c1-3-11-30(12-4-1)32-19-23-36(24-20-32)45(37-25-21-31-13-7-8-17-35(31)27-37)41-29-43-40(28-39(41)33-14-5-2-6-15-33)44-38-18-10-9-16-34(38)22-26-42(44)46-43/h1-14,16-29,33H,15H2
InChIKeyWTRUVJXQPIEPQB-UHFFFAOYSA-N
MW589.74 g/mol
LogP12.63
Rot. Bonds5

About 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 170241321) has the molecular formula C44H31NO and a molecular weight of 589.74 g/mol. Its IUPAC name is 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID170241321
Molecular FormulaC44H31NO
Molecular Weight589.74 g/mol
Exact Mass589.24
IUPAC Name10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESC1=CCC(c2cc3c(cc2N(c2ccc(-c4ccccc4)cc2)c2ccc4ccccc4c2)oc2ccc4ccccc4c23)C=C1
InChIInChI=1S/C44H31NO/c1-3-11-30(12-4-1)32-19-23-36(24-20-32)45(37-25-21-31-13-7-8-17-35(31)27-37)41-29-43-40(28-39(41)33-14-5-2-6-15-33)44-38-18-10-9-16-34(38)22-26-42(44)46-43/h1-14,16-29,33H,15H2
InChIKeyWTRUVJXQPIEPQB-UHFFFAOYSA-N
XLogP12.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-7-N,17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 164779502
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)dibenzofuran-2-amine;N-[4-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 161366378
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167183841
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine
CID 166055468
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 170241321) is 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is C1=CCC(c2cc3c(cc2N(c2ccc(-c4ccccc4)cc2)c2ccc4ccccc4c2)oc2ccc4ccccc4c23)C=C1.
What is the InChIKey of 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is WTRUVJXQPIEPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31NO/c1-3-11-30(12-4-1)32-19-23-36(24-20-32)45(37-25-21-31-13-7-8-17-35(31)27-37)41-29-43-40(28-39(41)33-14-5-2-6-15-33)44-38-18-10-9-16-34(38)22-26-42(44)46-43/h1-14,16-29,33H,15H2.
What are the key properties of 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 589.74 g/mol, XLogP of 12.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 170241321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).