CID 164706117

C25H29N — CID 164706117

IUPAC—
SMILESCc1cc2c(cc1C13[C]N(C)C(C)(CC1)CC3)C(C)(C)c1ccccc1-2
InChIInChI=1S/C25H29N/c1-17-14-19-18-8-6-7-9-20(18)23(2,3)22(19)15-21(17)25-12-10-24(4,11-13-25)26(5)16-25/h6-9,14-15H,10-13H2,1-5H3
InChIKeyKTXNVHXUIXJUCC-UHFFFAOYSA-N
MW343.51 g/mol
LogP5.86
Rot. Bonds1

About CID 164706117

CID 164706117 (PubChem CID 164706117) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol.

Molecular Properties

Compound NameCID 164706117
PubChem CID164706117
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name—
SMILESCc1cc2c(cc1C13[C]N(C)C(C)(CC1)CC3)C(C)(C)c1ccccc1-2
InChIInChI=1S/C25H29N/c1-17-14-19-18-8-6-7-9-20(18)23(2,3)22(19)15-21(17)25-12-10-24(4,11-13-25)26(5)16-25/h6-9,14-15H,10-13H2,1-5H3
InChIKeyKTXNVHXUIXJUCC-UHFFFAOYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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9,9-dimethyl-2-(2-methylphenyl)fluorene
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2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
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2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
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10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of CID 164706117?
The IUPAC name of CID 164706117 (CID 164706117) is not available.
What is the SMILES notation for CID 164706117?
The canonical SMILES for CID 164706117 is Cc1cc2c(cc1C13[C]N(C)C(C)(CC1)CC3)C(C)(C)c1ccccc1-2.
What is the InChIKey of CID 164706117?
The InChIKey is KTXNVHXUIXJUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-17-14-19-18-8-6-7-9-20(18)23(2,3)22(19)15-21(17)25-12-10-24(4,11-13-25)26(5)16-25/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of CID 164706117?
CID 164706117 has a molecular weight of 343.51 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164706117 is sourced from PubChem (CID 164706117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).