9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene

C90H72 — CID 159147015

IUPAC9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene
SMILESCc1c2ccccc2cc2ccccc12.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c3c(cccc13)-c1ccccc1-2.Cc1ccc2ccccc2c1.Cc1cccc(-c2cc3ccccc3c3ccccc23)c1.Cc1cccc2ccccc12
InChIInChI=1S/C21H16.C17H12.2C15H12.2C11H10/c1-15-7-6-9-16(13-15)21-14-17-8-2-3-10-18(17)19-11-4-5-12-20(19)21;1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-14H,1H3;2-10H,1H3;2*2-10H,1H3;2*2-8H,1H3
InChIKeyKIURQQVZHCBEGW-UHFFFAOYSA-N
MW1153.57 g/mol
LogP25.66
Rot. Bonds1

About 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene

9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene (PubChem CID 159147015) has the molecular formula C90H72 and a molecular weight of 1153.57 g/mol. Its IUPAC name is 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene.

Molecular Properties

Compound Name9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene
PubChem CID159147015
Molecular FormulaC90H72
Molecular Weight1153.57 g/mol
Exact Mass1152.56
IUPAC Name9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene
SMILESCc1c2ccccc2cc2ccccc12.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c3c(cccc13)-c1ccccc1-2.Cc1ccc2ccccc2c1.Cc1cccc(-c2cc3ccccc3c3ccccc23)c1.Cc1cccc2ccccc12
InChIInChI=1S/C21H16.C17H12.2C15H12.2C11H10/c1-15-7-6-9-16(13-15)21-14-17-8-2-3-10-18(17)19-11-4-5-12-20(19)21;1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-14H,1H3;2-10H,1H3;2*2-10H,1H3;2*2-8H,1H3
InChIKeyKIURQQVZHCBEGW-UHFFFAOYSA-N
XLogP25.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.57
LogP ≤ 525.66
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-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
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CID 158817490
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-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482
1,2-bis(2-methylphenyl)benzene;1,2-bis(3-methylphenyl)benzene;1,4-bis(2-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene
CID 157445243
2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 163568531
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene
CID 159830422
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
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

Frequently Asked Questions

What is the IUPAC name of 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene?
The IUPAC name of 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene (CID 159147015) is 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene.
What is the SMILES notation for 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene?
The canonical SMILES for 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene is Cc1c2ccccc2cc2ccccc12.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c3c(cccc13)-c1ccccc1-2.Cc1ccc2ccccc2c1.Cc1cccc(-c2cc3ccccc3c3ccccc23)c1.Cc1cccc2ccccc12.
What is the InChIKey of 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene?
The InChIKey is KIURQQVZHCBEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16.C17H12.2C15H12.2C11H10/c1-15-7-6-9-16(13-15)21-14-17-8-2-3-10-18(17)19-11-4-5-12-20(19)21;1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2-14H,1H3;2-10H,1H3;2*2-10H,1H3;2*2-8H,1H3.
What are the key properties of 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene?
9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene has a molecular weight of 1153.57 g/mol, XLogP of 25.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene is sourced from PubChem (CID 159147015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).