10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene

C54H34 — CID 58322811

IUPAC10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c3c2)cc1
InChIInChI=1S/C54H34/c1-2-16-35(17-3-1)36-30-31-49-52(32-36)53(46-27-13-12-26-45(46)50-33-37-18-4-6-20-39(37)41-22-8-10-24-43(41)50)47-28-14-15-29-48(47)54(49)51-34-38-19-5-7-21-40(38)42-23-9-11-25-44(42)51/h1-34H
InChIKeyMXXHYJPCLFUCDW-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene

10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene (PubChem CID 58322811) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene.

Molecular Properties

Compound Name10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
PubChem CID58322811
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c3c2)cc1
InChIInChI=1S/C54H34/c1-2-16-35(17-3-1)36-30-31-49-52(32-36)53(46-27-13-12-26-45(46)50-33-37-18-4-6-20-39(37)41-22-8-10-24-43(41)50)47-28-14-15-29-48(47)54(49)51-34-38-19-5-7-21-40(38)42-23-9-11-25-44(42)51/h1-34H
InChIKeyMXXHYJPCLFUCDW-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.27
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-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322690
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
CID 58323397
3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene
CID 58323659
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
CID 58323367
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene
CID 161364950
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569

Frequently Asked Questions

What is the IUPAC name of 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene?
The IUPAC name of 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene (CID 58322811) is 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene.
What is the SMILES notation for 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene?
The canonical SMILES for 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene is c1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c3c2)cc1.
What is the InChIKey of 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene?
The InChIKey is MXXHYJPCLFUCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-2-16-35(17-3-1)36-30-31-49-52(32-36)53(46-27-13-12-26-45(46)50-33-37-18-4-6-20-39(37)41-22-8-10-24-43(41)50)47-28-14-15-29-48(47)54(49)51-34-38-19-5-7-21-40(38)42-23-9-11-25-44(42)51/h1-34H.
What are the key properties of 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene?
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene has a molecular weight of 682.87 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene is sourced from PubChem (CID 58322811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).