anthracene;benzene;naphthalene

C30H24 — CID 142706236

IUPACanthracene;benzene;naphthalene
SMILESc1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C14H10.C10H8.C6H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h1-10H;1-8H;1-6H
InChIKeyLBUFUGUBSLOGNM-UHFFFAOYSA-N
MW384.52 g/mol
LogP8.52
Rot. Bonds

About anthracene;benzene;naphthalene

anthracene;benzene;naphthalene (PubChem CID 142706236) has the molecular formula C30H24 and a molecular weight of 384.52 g/mol. Its IUPAC name is anthracene;benzene;naphthalene.

Molecular Properties

Compound Nameanthracene;benzene;naphthalene
PubChem CID142706236
Molecular FormulaC30H24
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Nameanthracene;benzene;naphthalene
SMILESc1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C14H10.C10H8.C6H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h1-10H;1-8H;1-6H
InChIKeyLBUFUGUBSLOGNM-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 58.52
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

anthracene;ethane;naphthalene
CID 159079166
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
anthracene;benzene;naphthalene;phenol
CID 174822165
sodium;anthracene;hydride
CID 173035649
gold;pentacene
CID 162013118
naphthalene
CID 10240860
naphthalene
CID 21288458
ethane;pentacene
CID 91470616

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;naphthalene?
The IUPAC name of anthracene;benzene;naphthalene (CID 142706236) is anthracene;benzene;naphthalene.
What is the SMILES notation for anthracene;benzene;naphthalene?
The canonical SMILES for anthracene;benzene;naphthalene is c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of anthracene;benzene;naphthalene?
The InChIKey is LBUFUGUBSLOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C10H8.C6H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h1-10H;1-8H;1-6H.
What are the key properties of anthracene;benzene;naphthalene?
anthracene;benzene;naphthalene has a molecular weight of 384.52 g/mol, XLogP of 8.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;naphthalene is sourced from PubChem (CID 142706236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).