anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene

C122H80 — CID 159284619

IUPACanthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene
SMILESc1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C24H12.C20H12.C18H12.C16H10.2C14H10.C10H8.C6H6/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-7-13-11(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;1-2-4-6-5-3-1/h1-12H;1-12H;1-12H;1-10H;2*1-10H;1-8H;1-6H
InChIKeyKZIVELRKCGWUNL-UHFFFAOYSA-N
MW1545.98 g/mol
LogP34.90
Rot. Bonds

About anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene

anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene (PubChem CID 159284619) has the molecular formula C122H80 and a molecular weight of 1545.98 g/mol. Its IUPAC name is anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene.

Molecular Properties

Compound Nameanthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene
PubChem CID159284619
Molecular FormulaC122H80
Molecular Weight1545.98 g/mol
Exact Mass1544.63
IUPAC Nameanthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene
SMILESc1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C24H12.C20H12.C18H12.C16H10.2C14H10.C10H8.C6H6/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-7-13-11(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;1-2-4-6-5-3-1/h1-12H;1-12H;1-12H;1-10H;2*1-10H;1-8H;1-6H
InChIKeyKZIVELRKCGWUNL-UHFFFAOYSA-N
XLogP34.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001545.98
LogP ≤ 534.90
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

phenanthrene;pyrene;triphenylene
CID 162115949
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CID 161323671
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CID 163686062
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CID 162052721
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CID 158574724

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene?
The IUPAC name of anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene (CID 159284619) is anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene.
What is the SMILES notation for anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene?
The canonical SMILES for anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene is c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene?
The InChIKey is KZIVELRKCGWUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12.C20H12.C18H12.C16H10.2C14H10.C10H8.C6H6/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-3-7-13-11(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;1-2-4-6-5-3-1/h1-12H;1-12H;1-12H;1-10H;2*1-10H;1-8H;1-6H.
What are the key properties of anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene?
anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene has a molecular weight of 1545.98 g/mol, XLogP of 34.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;coronene;naphthalene;perylene;phenanthrene;pyrene;triphenylene is sourced from PubChem (CID 159284619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).