9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene

C46H30 — CID 171447415

IUPAC9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-3-16-31(17-4-1)35-28-15-29-36(32-18-5-2-6-19-32)45(35)46-41-26-13-11-24-39(41)44(40-25-12-14-27-42(40)46)43-30-33-20-7-8-21-34(33)37-22-9-10-23-38(37)43/h1-30H
InChIKeyDUUHEVOCRXTTCS-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene

9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene (PubChem CID 171447415) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene.

Molecular Properties

Compound Name9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
PubChem CID171447415
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-3-16-31(17-4-1)35-28-15-29-36(32-18-5-2-6-19-32)45(35)46-41-26-13-11-24-39(41)44(40-25-12-14-27-42(40)46)43-30-33-20-7-8-21-34(33)37-22-9-10-23-38(37)43/h1-30H
InChIKeyDUUHEVOCRXTTCS-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
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-(2-phenylphenyl)anthracene
CID 58050569
1-[10-(2,6-diphenylphenyl)anthracen-9-yl]chrysene
CID 176639500
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
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
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene?
The IUPAC name of 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene (CID 171447415) is 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene.
What is the SMILES notation for 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene?
The canonical SMILES for 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene is c1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene?
The InChIKey is DUUHEVOCRXTTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-16-31(17-4-1)35-28-15-29-36(32-18-5-2-6-19-32)45(35)46-41-26-13-11-24-39(41)44(40-25-12-14-27-42(40)46)43-30-33-20-7-8-21-34(33)37-22-9-10-23-38(37)43/h1-30H.
What are the key properties of 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene?
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene is sourced from PubChem (CID 171447415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).