1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene

C132H96 — CID 161395588

IUPAC1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene
SMILESCc1c2ccccc2c(-c2cccc3c2ccc2cc4ccccc4cc23)c2ccccc12.Cc1c2ccccc2c(-c2cccc3c2ccc2ccccc23)c2ccccc12.Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1ccc2cc3ccccc3cc2c1.Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C33H22.C29H20.C25H18.3C15H12/c1-21-25-11-4-6-13-29(25)33(30-14-7-5-12-26(21)30)31-16-8-15-27-28(31)18-17-24-19-22-9-2-3-10-23(22)20-32(24)27;1-19-21-10-4-6-13-26(21)29(27-14-7-5-11-22(19)27)28-16-8-15-24-23-12-3-2-9-20(23)17-18-25(24)28;1-17-19-11-4-6-14-22(19)25(23-15-7-5-12-20(17)23)24-16-8-10-18-9-2-3-13-21(18)24;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-20H,1H3;2-18H,1H3;2-16H,1H3;3*2-10H,1H3
InChIKeyVTOATKLMGLLWIB-UHFFFAOYSA-N
MW1682.22 g/mol
LogP37.73
Rot. Bonds3

About 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene

1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene (PubChem CID 161395588) has the molecular formula C132H96 and a molecular weight of 1682.22 g/mol. Its IUPAC name is 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene.

Molecular Properties

Compound Name1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene
PubChem CID161395588
Molecular FormulaC132H96
Molecular Weight1682.22 g/mol
Exact Mass1680.75
IUPAC Name1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene
SMILESCc1c2ccccc2c(-c2cccc3c2ccc2cc4ccccc4cc23)c2ccccc12.Cc1c2ccccc2c(-c2cccc3c2ccc2ccccc23)c2ccccc12.Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1ccc2cc3ccccc3cc2c1.Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C33H22.C29H20.C25H18.3C15H12/c1-21-25-11-4-6-13-29(25)33(30-14-7-5-12-26(21)30)31-16-8-15-27-28(31)18-17-24-19-22-9-2-3-10-23(22)20-32(24)27;1-19-21-10-4-6-13-26(21)29(27-14-7-5-11-22(19)27)28-16-8-15-24-23-12-3-2-9-20(23)17-18-25(24)28;1-17-19-11-4-6-14-22(19)25(23-15-7-5-12-20(17)23)24-16-8-10-18-9-2-3-13-21(18)24;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-20H,1H3;2-18H,1H3;2-16H,1H3;3*2-10H,1H3
InChIKeyVTOATKLMGLLWIB-UHFFFAOYSA-N
XLogP37.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.22
LogP ≤ 537.73
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'}

Analyze 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
2,6-dimethylanthracene;9,10-dimethylanthracene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;1,6-dimethylpyrene;4,9-dimethylpyrene
CID 159763691
1,6-dimethylanthracene;ethane
CID 142009331
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
CID 159448602
15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 22900021
9-methylanthracene;2-methylnaphthalene
CID 159699144
1,3-dimethyl-2-naphthalen-1-ylphenanthrene
CID 15440758
1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
CID 158709590
9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene
CID 159147015
1,4-dimethylanthracene;2,6-dimethylanthracene;9,10-dimethylanthracene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene;ethane
CID 161265902

Frequently Asked Questions

What is the IUPAC name of 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene?
The IUPAC name of 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene (CID 161395588) is 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene.
What is the SMILES notation for 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene?
The canonical SMILES for 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene is Cc1c2ccccc2c(-c2cccc3c2ccc2cc4ccccc4cc23)c2ccccc12.Cc1c2ccccc2c(-c2cccc3c2ccc2ccccc23)c2ccccc12.Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1ccc2cc3ccccc3cc2c1.Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene?
The InChIKey is VTOATKLMGLLWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22.C29H20.C25H18.3C15H12/c1-21-25-11-4-6-13-29(25)33(30-14-7-5-12-26(21)30)31-16-8-15-27-28(31)18-17-24-19-22-9-2-3-10-23(22)20-32(24)27;1-19-21-10-4-6-13-26(21)29(27-14-7-5-11-22(19)27)28-16-8-15-24-23-12-3-2-9-20(23)17-18-25(24)28;1-17-19-11-4-6-14-22(19)25(23-15-7-5-12-20(17)23)24-16-8-10-18-9-2-3-13-21(18)24;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-20H,1H3;2-18H,1H3;2-16H,1H3;3*2-10H,1H3.
What are the key properties of 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene?
1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene has a molecular weight of 1682.22 g/mol, XLogP of 37.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene is sourced from PubChem (CID 161395588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).