CID 171461261

C30H23N — CID 171461261

IUPAC—
SMILES[CH2-][n+]1ccccc1-c1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C30H23N/c1-31-19-6-5-18-30(31)29-17-9-16-28(22-29)27-15-8-14-26(21-27)25-13-7-12-24(20-25)23-10-3-2-4-11-23/h2-22H,1H2
InChIKeyIDYXGTJZKOSKDO-UHFFFAOYSA-N
MW397.52 g/mol
LogP7.28
Rot. Bonds4

About CID 171461261

CID 171461261 (PubChem CID 171461261) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol.

Molecular Properties

Compound NameCID 171461261
PubChem CID171461261
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name—
SMILES[CH2-][n+]1ccccc1-c1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C30H23N/c1-31-19-6-5-18-30(31)29-17-9-16-28(22-29)27-15-8-14-26(21-27)25-13-7-12-24(20-25)23-10-3-2-4-11-23/h2-22H,1H2
InChIKeyIDYXGTJZKOSKDO-UHFFFAOYSA-N
XLogP7.28
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
bis(1,3-diphenylbenzene);ethane
CID 144938975
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1,3-diphenylbenzene;ethane;methane
CID 171489435
1-(3-phenylphenyl)pyridin-1-ium
CID 150902257
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
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1-(3-fluorophenyl)-3,5-diphenylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 171461261?
The IUPAC name of CID 171461261 (CID 171461261) is not available.
What is the SMILES notation for CID 171461261?
The canonical SMILES for CID 171461261 is [CH2-][n+]1ccccc1-c1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of CID 171461261?
The InChIKey is IDYXGTJZKOSKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-31-19-6-5-18-30(31)29-17-9-16-28(22-29)27-15-8-14-26(21-27)25-13-7-12-24(20-25)23-10-3-2-4-11-23/h2-22H,1H2.
What are the key properties of CID 171461261?
CID 171461261 has a molecular weight of 397.52 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171461261 is sourced from PubChem (CID 171461261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).