benzene;9H-fluorene;naphthalene;pyridine

C34H29N — CID 158705225

IUPACbenzene;9H-fluorene;naphthalene;pyridine
SMILESc1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C13H10.C10H8.C6H6.C5H5N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1/h1-8H,9H2;1-8H;1-6H;1-5H
InChIKeyIIAKVDCAQLCIFE-UHFFFAOYSA-N
MW451.61 g/mol
LogP8.87
Rot. Bonds

About benzene;9H-fluorene;naphthalene;pyridine

benzene;9H-fluorene;naphthalene;pyridine (PubChem CID 158705225) has the molecular formula C34H29N and a molecular weight of 451.61 g/mol. Its IUPAC name is benzene;9H-fluorene;naphthalene;pyridine.

Molecular Properties

Compound Namebenzene;9H-fluorene;naphthalene;pyridine
PubChem CID158705225
Molecular FormulaC34H29N
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC Namebenzene;9H-fluorene;naphthalene;pyridine
SMILESc1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C13H10.C10H8.C6H6.C5H5N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1/h1-8H,9H2;1-8H;1-6H;1-5H
InChIKeyIIAKVDCAQLCIFE-UHFFFAOYSA-N
XLogP8.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;ethane;9H-fluorene;naphthalene;pyridine
CID 160675726
ethane;9H-fluorene;naphthalene;toluene
CID 160674058
9H-fluorene;trihydrofluoride
CID 172854917
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
chromium;9H-fluorene
CID 161167703
benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)
CID 165033645
9H-indeno[2,1-c]pyridine
CID 597466
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
9H-fluorene;sulfane;hydrate
CID 159057499
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322

Frequently Asked Questions

What is the IUPAC name of benzene;9H-fluorene;naphthalene;pyridine?
The IUPAC name of benzene;9H-fluorene;naphthalene;pyridine (CID 158705225) is benzene;9H-fluorene;naphthalene;pyridine.
What is the SMILES notation for benzene;9H-fluorene;naphthalene;pyridine?
The canonical SMILES for benzene;9H-fluorene;naphthalene;pyridine is c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.
What is the InChIKey of benzene;9H-fluorene;naphthalene;pyridine?
The InChIKey is IIAKVDCAQLCIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C10H8.C6H6.C5H5N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1/h1-8H,9H2;1-8H;1-6H;1-5H.
What are the key properties of benzene;9H-fluorene;naphthalene;pyridine?
benzene;9H-fluorene;naphthalene;pyridine has a molecular weight of 451.61 g/mol, XLogP of 8.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9H-fluorene;naphthalene;pyridine is sourced from PubChem (CID 158705225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).