benzene;ethane;9H-fluorene;naphthalene;pyridine

C50H77N — CID 160675726

IUPACbenzene;ethane;9H-fluorene;naphthalene;pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C13H10.C10H8.C6H6.C5H5N.8C2H6/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;8*1-2/h1-8H,9H2;1-8H;1-6H;1-5H;8*1-2H3
InChIKeyRNMQNUMASQOGQP-UHFFFAOYSA-N
MW692.17 g/mol
LogP17.08
Rot. Bonds

About benzene;ethane;9H-fluorene;naphthalene;pyridine

benzene;ethane;9H-fluorene;naphthalene;pyridine (PubChem CID 160675726) has the molecular formula C50H77N and a molecular weight of 692.17 g/mol. Its IUPAC name is benzene;ethane;9H-fluorene;naphthalene;pyridine.

Molecular Properties

Compound Namebenzene;ethane;9H-fluorene;naphthalene;pyridine
PubChem CID160675726
Molecular FormulaC50H77N
Molecular Weight692.17 g/mol
Exact Mass691.61
IUPAC Namebenzene;ethane;9H-fluorene;naphthalene;pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C13H10.C10H8.C6H6.C5H5N.8C2H6/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;8*1-2/h1-8H,9H2;1-8H;1-6H;1-5H;8*1-2H3
InChIKeyRNMQNUMASQOGQP-UHFFFAOYSA-N
XLogP17.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.17
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;9H-fluorene;naphthalene;pyridine
CID 158705225
ethane;9H-fluorene;naphthalene;toluene
CID 160674058
benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)
CID 165033645
benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
CID 159627808
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
cadmium;9H-fluorene
CID 175337736
9H-fluorene;trihydrofluoride
CID 172854917
azane;hexakis(9H-fluorene)
CID 158472914
chromium;9H-fluorene
CID 161167703
9H-indeno[2,1-c]pyridine
CID 597466
9H-fluorene;sulfane;hydrate
CID 159057499
azane;9H-fluorene;hydrobromide
CID 174352852

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;9H-fluorene;naphthalene;pyridine?
The IUPAC name of benzene;ethane;9H-fluorene;naphthalene;pyridine (CID 160675726) is benzene;ethane;9H-fluorene;naphthalene;pyridine.
What is the SMILES notation for benzene;ethane;9H-fluorene;naphthalene;pyridine?
The canonical SMILES for benzene;ethane;9H-fluorene;naphthalene;pyridine is CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.
What is the InChIKey of benzene;ethane;9H-fluorene;naphthalene;pyridine?
The InChIKey is RNMQNUMASQOGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C10H8.C6H6.C5H5N.8C2H6/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;8*1-2/h1-8H,9H2;1-8H;1-6H;1-5H;8*1-2H3.
What are the key properties of benzene;ethane;9H-fluorene;naphthalene;pyridine?
benzene;ethane;9H-fluorene;naphthalene;pyridine has a molecular weight of 692.17 g/mol, XLogP of 17.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;9H-fluorene;naphthalene;pyridine is sourced from PubChem (CID 160675726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).