10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene

C54H34 — CID 58322788

IUPAC10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C54H34/c1-2-15-35(16-3-1)36-29-30-49-52(32-36)53(40-20-14-19-37(31-40)50-33-38-17-4-6-21-41(38)43-23-8-10-25-45(43)50)47-27-12-13-28-48(47)54(49)51-34-39-18-5-7-22-42(39)44-24-9-11-26-46(44)51/h1-34H
InChIKeyJMWDEPQSFPHBJS-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene

10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene (PubChem CID 58322788) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene.

Molecular Properties

Compound Name10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
PubChem CID58322788
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C54H34/c1-2-15-35(16-3-1)36-29-30-49-52(32-36)53(40-20-14-19-37(31-40)50-33-38-17-4-6-21-41(38)43-23-8-10-25-45(43)50)47-27-12-13-28-48(47)54(49)51-34-39-18-5-7-22-42(39)44-24-9-11-26-46(44)51/h1-34H
InChIKeyJMWDEPQSFPHBJS-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

2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322853
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
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
2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 59793052
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309751

Frequently Asked Questions

What is the IUPAC name of 10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene?
The IUPAC name of 10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene (CID 58322788) is 10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene.
What is the SMILES notation for 10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene?
The canonical SMILES for 10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene is c1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.
What is the InChIKey of 10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene?
The InChIKey is JMWDEPQSFPHBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-2-15-35(16-3-1)36-29-30-49-52(32-36)53(40-20-14-19-37(31-40)50-33-38-17-4-6-21-41(38)43-23-8-10-25-45(43)50)47-27-12-13-28-48(47)54(49)51-34-39-18-5-7-22-42(39)44-24-9-11-26-46(44)51/h1-34H.
What are the key properties of 10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene?
10-phenanthren-9-yl-9-(3-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-(3-phenanthren-9-ylphenyl)-2-phenylanthracene is sourced from PubChem (CID 58322788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).