pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene

C27H26N2 — CID 174819544

IUPACpyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene
SMILESC1=c2c(ccc3c2=CCc2ccccc2-3)CCC1.c1cc[nH]c1.c1ccncc1
InChIInChI=1S/C18H16.C5H5N.C4H5N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-6-5-3-1;1-2-4-5-3-1/h1,3,5,7-8,10-12H,2,4,6,9H2;1-5H;1-5H
InChIKeyNXRUJJLAZDABLE-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.90
Rot. Bonds

About pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene

pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene (PubChem CID 174819544) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene.

Molecular Properties

Compound Namepyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene
PubChem CID174819544
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Namepyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene
SMILESC1=c2c(ccc3c2=CCc2ccccc2-3)CCC1.c1cc[nH]c1.c1ccncc1
InChIInChI=1S/C18H16.C5H5N.C4H5N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-6-5-3-1;1-2-4-5-3-1/h1,3,5,7-8,10-12H,2,4,6,9H2;1-5H;1-5H
InChIKeyNXRUJJLAZDABLE-UHFFFAOYSA-N
XLogP4.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,6-tetrahydrochrysene
CID 174255950
benzoyl benzoate;1,2,3,6-tetrahydrochrysene
CID 174591475
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;1,2,3,6-tetrahydrochrysene;hydrate
CID 174399139
4-(4-chlorophenyl)-1,2,3,6-tetrahydrochrysene;pyridine;hydrochloride
CID 174476461
1-benzyl-1,2,3,6-tetrahydrochrysene
CID 174632975
1,1-dimethyl-3,6-dihydro-2H-chrysene
CID 174508199
1,6-dihydrochrysene
CID 141333626
1-benzyl-4-(4-methylphenyl)-1,2,3,6-tetrahydrochrysene;pyridine
CID 174583345
1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole
CID 174925203
benzene;9H-fluorene;naphthalene;pyridine
CID 158705225
phenol;pyridine;1H-pyrrole
CID 174869090
pyridine;1H-pyrrole;sulfane
CID 174701148

Frequently Asked Questions

What is the IUPAC name of pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene?
The IUPAC name of pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene (CID 174819544) is pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene.
What is the SMILES notation for pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene?
The canonical SMILES for pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene is C1=c2c(ccc3c2=CCc2ccccc2-3)CCC1.c1cc[nH]c1.c1ccncc1.
What is the InChIKey of pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene?
The InChIKey is NXRUJJLAZDABLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C5H5N.C4H5N/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-6-5-3-1;1-2-4-5-3-1/h1,3,5,7-8,10-12H,2,4,6,9H2;1-5H;1-5H.
What are the key properties of pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene?
pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene has a molecular weight of 378.52 g/mol, XLogP of 4.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene is sourced from PubChem (CID 174819544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).