CID 176825215

C38H35N3 — CID 176825215

IUPAC—
SMILES[2H]C1([2H])CC2(CCCCC2)CC([2H])([2H])C12c1ccccc1-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C38H35N3/c1-4-12-27(13-5-1)34-39-35(28-14-6-2-7-15-28)41-36(40-34)29-18-19-31-30-16-8-9-17-32(30)38(33(31)26-29)24-22-37(23-25-38)20-10-3-11-21-37/h1-2,4-9,12-19,26H,3,10-11,20-25H2/i24D2,25D2
InChIKeyHJVUKSWKDQHTPV-TZGJBPQYSA-N
MW537.74 g/mol
LogP9.66
Rot. Bonds3

About CID 176825215

CID 176825215 (PubChem CID 176825215) has the molecular formula C38H35N3 and a molecular weight of 537.74 g/mol.

Molecular Properties

Compound NameCID 176825215
PubChem CID176825215
Molecular FormulaC38H35N3
Molecular Weight537.74 g/mol
Exact Mass537.31
IUPAC Name—
SMILES[2H]C1([2H])CC2(CCCCC2)CC([2H])([2H])C12c1ccccc1-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C38H35N3/c1-4-12-27(13-5-1)34-39-35(28-14-6-2-7-15-28)41-36(40-34)29-18-19-31-30-16-8-9-17-32(30)38(33(31)26-29)24-22-37(23-25-38)20-10-3-11-21-37/h1-2,4-9,12-19,26H,3,10-11,20-25H2/i24D2,25D2
InChIKeyHJVUKSWKDQHTPV-TZGJBPQYSA-N
XLogP9.66
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.74
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 176825210
CID 176825210
CID 176825213
CID 176825213
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
2-[2-methyl-4-(1,1,3,3-tetradeuteriospiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176825067
2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine
CID 176825136
2,4-diphenyl-6-[2-[3-(1,1,3,3-tetradeuteriospiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazine
CID 176825227
2,4,6-tri(spiro[cyclopentane-1,9'-fluorene]-2'-yl)pyrimidine
CID 71215635
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276

Frequently Asked Questions

What is the IUPAC name of CID 176825215?
The IUPAC name of CID 176825215 (CID 176825215) is not available.
What is the SMILES notation for CID 176825215?
The canonical SMILES for CID 176825215 is [2H]C1([2H])CC2(CCCCC2)CC([2H])([2H])C12c1ccccc1-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12.
What is the InChIKey of CID 176825215?
The InChIKey is HJVUKSWKDQHTPV-TZGJBPQYSA-N. The full InChI is InChI=1S/C38H35N3/c1-4-12-27(13-5-1)34-39-35(28-14-6-2-7-15-28)41-36(40-34)29-18-19-31-30-16-8-9-17-32(30)38(33(31)26-29)24-22-37(23-25-38)20-10-3-11-21-37/h1-2,4-9,12-19,26H,3,10-11,20-25H2/i24D2,25D2.
What are the key properties of CID 176825215?
CID 176825215 has a molecular weight of 537.74 g/mol, XLogP of 9.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176825215 is sourced from PubChem (CID 176825215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).