anthracene;benzene;ethane;methane;naphthalene;phenanthrene

C132H152 — CID 165100434

IUPACanthracene;benzene;ethane;methane;naphthalene;phenanthrene
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/6C14H10.2C10H8.C6H6.9C2H6.4CH4/c4*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;9*1-2;;;;/h6*1-10H;2*1-8H;1-6H;9*1-2H3;4*1H4
InChIKeyYFRFAKVODHDVPS-UHFFFAOYSA-N
MW1738.67 g/mol
LogP43.10
Rot. Bonds

About anthracene;benzene;ethane;methane;naphthalene;phenanthrene

anthracene;benzene;ethane;methane;naphthalene;phenanthrene (PubChem CID 165100434) has the molecular formula C132H152 and a molecular weight of 1738.67 g/mol. Its IUPAC name is anthracene;benzene;ethane;methane;naphthalene;phenanthrene.

Molecular Properties

Compound Nameanthracene;benzene;ethane;methane;naphthalene;phenanthrene
PubChem CID165100434
Molecular FormulaC132H152
Molecular Weight1738.67 g/mol
Exact Mass1737.19
IUPAC Nameanthracene;benzene;ethane;methane;naphthalene;phenanthrene
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/6C14H10.2C10H8.C6H6.9C2H6.4CH4/c4*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;9*1-2;;;;/h6*1-10H;2*1-8H;1-6H;9*1-2H3;4*1H4
InChIKeyYFRFAKVODHDVPS-UHFFFAOYSA-N
XLogP43.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001738.67
LogP ≤ 543.10
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

anthracene;naphthalene;phenanthrene
CID 158591187
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
CID 161125240
anthracene;benzene;9,10-dimethylanthracene;ethane;naphthalene;phenanthrene;pyrene
CID 159428909
benzene;ethane;methane;naphthalene;perylene;phenanthrene
CID 158942771
benzene;9,10-dimethylphenanthrene;ethane;methane;naphthalene;phenanthrene
CID 158089550
anthracene;ethane;naphthalene
CID 159079166
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
benzene;ethane;methane;naphthalene
CID 162063718
anthracene;benzene;naphthalene
CID 142706236
benzo[a]anthracene;hydrobromide
CID 159787028

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;ethane;methane;naphthalene;phenanthrene?
The IUPAC name of anthracene;benzene;ethane;methane;naphthalene;phenanthrene (CID 165100434) is anthracene;benzene;ethane;methane;naphthalene;phenanthrene.
What is the SMILES notation for anthracene;benzene;ethane;methane;naphthalene;phenanthrene?
The canonical SMILES for anthracene;benzene;ethane;methane;naphthalene;phenanthrene is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of anthracene;benzene;ethane;methane;naphthalene;phenanthrene?
The InChIKey is YFRFAKVODHDVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/6C14H10.2C10H8.C6H6.9C2H6.4CH4/c4*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;9*1-2;;;;/h6*1-10H;2*1-8H;1-6H;9*1-2H3;4*1H4.
What are the key properties of anthracene;benzene;ethane;methane;naphthalene;phenanthrene?
anthracene;benzene;ethane;methane;naphthalene;phenanthrene has a molecular weight of 1738.67 g/mol, XLogP of 43.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;ethane;methane;naphthalene;phenanthrene is sourced from PubChem (CID 165100434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).