2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine

C23H23N — CID 177102277

IUPAC2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)CCCCCC4)cc2)nc1
InChIInChI=1S/C23H23N/c1-2-4-8-21-17-22(15-12-18(21)7-3-1)19-10-13-20(14-11-19)23-9-5-6-16-24-23/h5-6,9-17H,1-4,7-8H2
InChIKeyVWELMIPZCGPMJP-UHFFFAOYSA-N
MW313.44 g/mol
LogP6.07
Rot. Bonds2

About 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine

2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine (PubChem CID 177102277) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine
PubChem CID177102277
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)CCCCCC4)cc2)nc1
InChIInChI=1S/C23H23N/c1-2-4-8-21-17-22(15-12-18(21)7-3-1)19-10-13-20(14-11-19)23-9-5-6-16-24-23/h5-6,9-17H,1-4,7-8H2
InChIKeyVWELMIPZCGPMJP-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10536433
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CID 169048450
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
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2-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]pyridine
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2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-(2,3-dihydro-1H-inden-5-yl)pyrazine
CID 141313830
3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
CID 91488150
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192
trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane
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CID 88530161
CID 88530161

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine?
The IUPAC name of 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine (CID 177102277) is 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine?
The canonical SMILES for 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine is c1ccc(-c2ccc(-c3ccc4c(c3)CCCCCC4)cc2)nc1.
What is the InChIKey of 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine?
The InChIKey is VWELMIPZCGPMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-2-4-8-21-17-22(15-12-18(21)7-3-1)19-10-13-20(14-11-19)23-9-5-6-16-24-23/h5-6,9-17H,1-4,7-8H2.
What are the key properties of 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine?
2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine has a molecular weight of 313.44 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)phenyl]pyridine is sourced from PubChem (CID 177102277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).