9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene

C44H28 — CID 58895447

IUPAC9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-14-29(15-3-1)32-26-27-41(35-20-8-6-19-34(32)35)43-37-22-10-12-24-39(37)44(40-25-13-11-23-38(40)43)42-28-30-16-4-5-17-31(30)33-18-7-9-21-36(33)42/h1-28H
InChIKeySCUDLUHPFSVQIU-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene

9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 58895447) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
PubChem CID58895447
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28/c1-2-14-29(15-3-1)32-26-27-41(35-20-8-6-19-34(32)35)43-37-22-10-12-24-39(37)44(40-25-13-11-23-38(40)43)42-28-30-16-4-5-17-31(30)33-18-7-9-21-36(33)42/h1-28H
InChIKeySCUDLUHPFSVQIU-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 156656861
9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(5-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene;9-(5-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(7-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene
CID 163889905
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene (CID 58895447) is 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene?
The InChIKey is SCUDLUHPFSVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-14-29(15-3-1)32-26-27-41(35-20-8-6-19-34(32)35)43-37-22-10-12-24-39(37)44(40-25-13-11-23-38(40)43)42-28-30-16-4-5-17-31(30)33-18-7-9-21-36(33)42/h1-28H.
What are the key properties of 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene?
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 58895447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).