2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene

C42H30 — CID 156622206

IUPAC2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
SMILESCc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(C)cc4)c3c2)cc1
InChIInChI=1S/C42H30/c1-27-15-19-29(20-16-27)31-23-24-38-40(25-31)41(30-21-17-28(2)18-22-30)36-13-7-8-14-37(36)42(38)39-26-32-9-3-4-10-33(32)34-11-5-6-12-35(34)39/h3-26H,1-2H3
InChIKeyZTEDBAOBYDNFDE-UHFFFAOYSA-N
MW534.70 g/mol
LogP11.92
Rot. Bonds3

About 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene

2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene (PubChem CID 156622206) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene.

Molecular Properties

Compound Name2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
PubChem CID156622206
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
SMILESCc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(C)cc4)c3c2)cc1
InChIInChI=1S/C42H30/c1-27-15-19-29(20-16-27)31-23-24-38-40(25-31)41(30-21-17-28(2)18-22-30)36-13-7-8-14-37(36)42(38)39-26-32-9-3-4-10-33(32)34-11-5-6-12-35(34)39/h3-26H,1-2H3
InChIKeyZTEDBAOBYDNFDE-UHFFFAOYSA-N
XLogP11.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 511.92
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-(4-phenylphenyl)anthracene
CID 58323135
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 59793052
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene?
The IUPAC name of 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene (CID 156622206) is 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene.
What is the SMILES notation for 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene?
The canonical SMILES for 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene is Cc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(C)cc4)c3c2)cc1.
What is the InChIKey of 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene?
The InChIKey is ZTEDBAOBYDNFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-27-15-19-29(20-16-27)31-23-24-38-40(25-31)41(30-21-17-28(2)18-22-30)36-13-7-8-14-37(36)42(38)39-26-32-9-3-4-10-33(32)34-11-5-6-12-35(34)39/h3-26H,1-2H3.
What are the key properties of 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene?
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene has a molecular weight of 534.70 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene is sourced from PubChem (CID 156622206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).