pyrene;3,4,10,11-tetrahydrochrysene

C34H26 — CID 174323053

IUPACpyrene;3,4,10,11-tetrahydrochrysene
SMILESC1=CCc2c3c(ccc2=C1)=C1CCC=CC1=CC3.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C18H16.C16H10/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-3,5-6,9-11H,4,7-8,12H2;1-10H
InChIKeyQRNDEGMQGOFSDV-UHFFFAOYSA-N
MW434.58 g/mol
LogP7.15
Rot. Bonds

About pyrene;3,4,10,11-tetrahydrochrysene

pyrene;3,4,10,11-tetrahydrochrysene (PubChem CID 174323053) has the molecular formula C34H26 and a molecular weight of 434.58 g/mol. Its IUPAC name is pyrene;3,4,10,11-tetrahydrochrysene.

Molecular Properties

Compound Namepyrene;3,4,10,11-tetrahydrochrysene
PubChem CID174323053
Molecular FormulaC34H26
Molecular Weight434.58 g/mol
Exact Mass434.20
IUPAC Namepyrene;3,4,10,11-tetrahydrochrysene
SMILESC1=CCc2c3c(ccc2=C1)=C1CCC=CC1=CC3.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C18H16.C16H10/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-3,5-6,9-11H,4,7-8,12H2;1-10H
InChIKeyQRNDEGMQGOFSDV-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-bromopyrene;3,4,10,11-tetrahydrochrysene
CID 174487040
1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene
CID 174718447
(2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium
CID 140675514
4-(12-cyclohexa-1,3-dien-1-ylbenzo[10]annulen-5-yl)pyrene
CID 123727351
2-(4-phenylcyclohepta-1,3,6-trien-1-yl)-4-(4-phenylphenyl)-6-[3-pyren-1-yl-5-(13-tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4,9(17),10,12,14-heptaenyl)phenyl]-1,3,5-triazine
CID 129171402
4-cyclohepta-1,3,6-trien-1-ylpyrene
CID 142416160
9-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-1,2-dihydropyrene
CID 140704038
4-[[2-(2-anthracen-1-ylcyclohexa-1,3-dien-1-yl)-5-cyclohexa-1,3-dien-1-ylphenyl]methyl]pyrene
CID 123459591
3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]
CID 155372508
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588

Frequently Asked Questions

What is the IUPAC name of pyrene;3,4,10,11-tetrahydrochrysene?
The IUPAC name of pyrene;3,4,10,11-tetrahydrochrysene (CID 174323053) is pyrene;3,4,10,11-tetrahydrochrysene.
What is the SMILES notation for pyrene;3,4,10,11-tetrahydrochrysene?
The canonical SMILES for pyrene;3,4,10,11-tetrahydrochrysene is C1=CCc2c3c(ccc2=C1)=C1CCC=CC1=CC3.c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of pyrene;3,4,10,11-tetrahydrochrysene?
The InChIKey is QRNDEGMQGOFSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C16H10/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-3,5-6,9-11H,4,7-8,12H2;1-10H.
What are the key properties of pyrene;3,4,10,11-tetrahydrochrysene?
pyrene;3,4,10,11-tetrahydrochrysene has a molecular weight of 434.58 g/mol, XLogP of 7.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene;3,4,10,11-tetrahydrochrysene is sourced from PubChem (CID 174323053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).