9,10-bis(3-methylphenyl)-2,6-diphenylanthracene

C40H30 — CID 142700277

IUPAC9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
SMILESCc1cccc(-c2c3ccc(-c4ccccc4)cc3c(-c3cccc(C)c3)c3ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C40H30/c1-27-11-9-17-33(23-27)39-35-21-19-32(30-15-7-4-8-16-30)26-38(35)40(34-18-10-12-28(2)24-34)36-22-20-31(25-37(36)39)29-13-5-3-6-14-29/h3-26H,1-2H3
InChIKeyZZCJIRPIPLMBGC-UHFFFAOYSA-N
MW510.68 g/mol
LogP11.28
Rot. Bonds4

About 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene

9,10-bis(3-methylphenyl)-2,6-diphenylanthracene (PubChem CID 142700277) has the molecular formula C40H30 and a molecular weight of 510.68 g/mol. Its IUPAC name is 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene.

Molecular Properties

Compound Name9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
PubChem CID142700277
Molecular FormulaC40H30
Molecular Weight510.68 g/mol
Exact Mass510.23
IUPAC Name9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
SMILESCc1cccc(-c2c3ccc(-c4ccccc4)cc3c(-c3cccc(C)c3)c3ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C40H30/c1-27-11-9-17-33(23-27)39-35-21-19-32(30-15-7-4-8-16-30)26-38(35)40(34-18-10-12-28(2)24-34)36-22-20-31(25-37(36)39)29-13-5-3-6-14-29/h3-26H,1-2H3
InChIKeyZZCJIRPIPLMBGC-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(3-methylphenyl)-2,7-diphenylanthracene
CID 142700269
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,6,9,10-tetraphenylanthracene
CID 58645118
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene
CID 142700276
ethane;1-methyl-3-phenylbenzene
CID 142040878

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene?
The IUPAC name of 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene (CID 142700277) is 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene.
What is the SMILES notation for 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene?
The canonical SMILES for 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene is Cc1cccc(-c2c3ccc(-c4ccccc4)cc3c(-c3cccc(C)c3)c3ccc(-c4ccccc4)cc23)c1.
What is the InChIKey of 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene?
The InChIKey is ZZCJIRPIPLMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30/c1-27-11-9-17-33(23-27)39-35-21-19-32(30-15-7-4-8-16-30)26-38(35)40(34-18-10-12-28(2)24-34)36-22-20-31(25-37(36)39)29-13-5-3-6-14-29/h3-26H,1-2H3.
What are the key properties of 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene?
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene has a molecular weight of 510.68 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(3-methylphenyl)-2,6-diphenylanthracene is sourced from PubChem (CID 142700277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).