N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline

C54H37NO — CID 167144391

IUPACN-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline
SMILESC1=CC2C(c3ccccc3)=Cc3c(oc4c(-c5ccc(N(c6ccccc6)c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)cccc34)C2C=C1
InChIInChI=1S/C54H37NO/c1-3-14-36(15-4-1)51-35-52-49-25-13-24-44(53(49)56-54(52)48-23-12-11-22-47(48)51)37-26-30-41(31-27-37)55(40-17-5-2-6-18-40)42-32-28-38(29-33-42)50-34-39-16-7-8-19-43(39)45-20-9-10-21-46(45)50/h1-35,47-48H
InChIKeyOMCQAJORYPRLIC-UHFFFAOYSA-N
MW715.90 g/mol
LogP14.92
Rot. Bonds6

About N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline

N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline (PubChem CID 167144391) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline
PubChem CID167144391
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline
SMILESC1=CC2C(c3ccccc3)=Cc3c(oc4c(-c5ccc(N(c6ccccc6)c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)cccc34)C2C=C1
InChIInChI=1S/C54H37NO/c1-3-14-36(15-4-1)51-35-52-49-25-13-24-44(53(49)56-54(52)48-23-12-11-22-47(48)51)37-26-30-41(31-27-37)55(40-17-5-2-6-18-40)42-32-28-38(29-33-42)50-34-39-16-7-8-19-43(39)45-20-9-10-21-46(45)50/h1-35,47-48H
InChIKeyOMCQAJORYPRLIC-UHFFFAOYSA-N
XLogP14.92
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline 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

N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206
3-phenyl-N-[4-(10-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-(3-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167143567
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167277671
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501733
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline (CID 167144391) is N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline is C1=CC2C(c3ccccc3)=Cc3c(oc4c(-c5ccc(N(c6ccccc6)c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5)cccc34)C2C=C1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline?
The InChIKey is OMCQAJORYPRLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-3-14-36(15-4-1)51-35-52-49-25-13-24-44(53(49)56-54(52)48-23-12-11-22-47(48)51)37-26-30-41(31-27-37)55(40-17-5-2-6-18-40)42-32-28-38(29-33-42)50-34-39-16-7-8-19-43(39)45-20-9-10-21-46(45)50/h1-35,47-48H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline?
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline has a molecular weight of 715.90 g/mol, XLogP of 14.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-10-yl)aniline is sourced from PubChem (CID 167144391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).