anthracene;naphthalene;phenanthrene

C38H28 — CID 158591187

IUPACanthracene;naphthalene;phenanthrene
SMILESc1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C14H10.C10H8/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1/h2*1-10H;1-8H
InChIKeyHULQCPMWYRPUQZ-UHFFFAOYSA-N
MW484.64 g/mol
LogP10.83
Rot. Bonds

About anthracene;naphthalene;phenanthrene

anthracene;naphthalene;phenanthrene (PubChem CID 158591187) has the molecular formula C38H28 and a molecular weight of 484.64 g/mol. Its IUPAC name is anthracene;naphthalene;phenanthrene.

Molecular Properties

Compound Nameanthracene;naphthalene;phenanthrene
PubChem CID158591187
Molecular FormulaC38H28
Molecular Weight484.64 g/mol
Exact Mass484.22
IUPAC Nameanthracene;naphthalene;phenanthrene
SMILESc1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C14H10.C10H8/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1/h2*1-10H;1-8H
InChIKeyHULQCPMWYRPUQZ-UHFFFAOYSA-N
XLogP10.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 510.83
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;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 157090523
CID 157090523
benzo[a]anthracene;hydrobromide
CID 159787028
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
benzo[a]anthracene;formonitrile
CID 155409375
2-naphthalen-2-ylphenanthrene
CID 90738367
naphtho[1,2-b]phenanthrene
CID 5889
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016

Frequently Asked Questions

What is the IUPAC name of anthracene;naphthalene;phenanthrene?
The IUPAC name of anthracene;naphthalene;phenanthrene (CID 158591187) is anthracene;naphthalene;phenanthrene.
What is the SMILES notation for anthracene;naphthalene;phenanthrene?
The canonical SMILES for anthracene;naphthalene;phenanthrene is c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.
What is the InChIKey of anthracene;naphthalene;phenanthrene?
The InChIKey is HULQCPMWYRPUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10.C10H8/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1/h2*1-10H;1-8H.
What are the key properties of anthracene;naphthalene;phenanthrene?
anthracene;naphthalene;phenanthrene has a molecular weight of 484.64 g/mol, XLogP of 10.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;naphthalene;phenanthrene is sourced from PubChem (CID 158591187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).