CID 102196691

C33H45 — CID 102196691

IUPAC—
SMILESCC(C)(C)c1cc([C]2C=CC(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C2)cc(C(C)(C)C)c1
InChIInChI=1S/C33H45/c1-30(2,3)26-16-24(17-27(20-26)31(4,5)6)22-13-14-23(15-22)25-18-28(32(7,8)9)21-29(19-25)33(10,11)12/h13-21H,1-12H3
InChIKeyNNJPCUOOMHDXPL-UHFFFAOYSA-N
MW441.72 g/mol
LogP9.45
Rot. Bonds2

About CID 102196691

CID 102196691 (PubChem CID 102196691) has the molecular formula C33H45 and a molecular weight of 441.72 g/mol.

Molecular Properties

Compound NameCID 102196691
PubChem CID102196691
Molecular FormulaC33H45
Molecular Weight441.72 g/mol
Exact Mass441.35
IUPAC Name—
SMILESCC(C)(C)c1cc([C]2C=CC(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C2)cc(C(C)(C)C)c1
InChIInChI=1S/C33H45/c1-30(2,3)26-16-24(17-27(20-26)31(4,5)6)22-13-14-23(15-22)25-18-28(32(7,8)9)21-29(19-25)33(10,11)12/h13-21H,1-12H3
InChIKeyNNJPCUOOMHDXPL-UHFFFAOYSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.72
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 102196690
CID 102196690
terbium;bis(1,3,5-tritert-butylbenzene)
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1,3-ditert-butyl-5-(3,5-ditert-butylphenyl)benzene;phosphorous acid
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ethane;methane;1,3,5-tritert-butylbenzene
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[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane
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[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane
CID 177390862
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
5,10,15-tris(3,5-ditert-butylphenyl)porphyrin
CID 68978180
2,6-bis(3,5-ditert-butylphenyl)pyridine
CID 102450802
2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene
CID 18406157
copper(1+);1,3-ditert-butyl-5-ethynylbenzene
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2-chloro-4,6-bis(3,5-ditert-butylphenyl)pyrimidine
CID 157322208

Frequently Asked Questions

What is the IUPAC name of CID 102196691?
The IUPAC name of CID 102196691 (CID 102196691) is not available.
What is the SMILES notation for CID 102196691?
The canonical SMILES for CID 102196691 is CC(C)(C)c1cc([C]2C=CC(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C2)cc(C(C)(C)C)c1.
What is the InChIKey of CID 102196691?
The InChIKey is NNJPCUOOMHDXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45/c1-30(2,3)26-16-24(17-27(20-26)31(4,5)6)22-13-14-23(15-22)25-18-28(32(7,8)9)21-29(19-25)33(10,11)12/h13-21H,1-12H3.
What are the key properties of CID 102196691?
CID 102196691 has a molecular weight of 441.72 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102196691 is sourced from PubChem (CID 102196691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).