CID 132965849

C100H60 — CID 132965849

IUPAC—
SMILESc1ccc2c3ccc(c2c1)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc=3c2ccccc12
InChIInChI=1S/C100H60/c1-2-22-62-61(21-1)81-41-42-82(62)84-45-46-86(66-26-6-5-25-65(66)84)88-49-50-90(70-30-10-9-29-69(70)88)92-53-54-94(74-34-14-13-33-73(74)92)96-57-58-98(78-38-18-17-37-77(78)96)100-60-59-99(79-39-19-20-40-80(79)100)97-56-55-95(75-35-15-16-36-76(75)97)93-52-51-91(71-31-11-12-32-72(71)93)89-48-47-87(67-27-7-8-28-68(67)89)85-44-43-83(81)63-23-3-4-24-64(63)85/h1-60H
InChIKeyLRLRLKMSAUNTMU-UHFFFAOYSA-N
MW1261.58 g/mol
LogP24.40
Rot. Bonds

About CID 132965849

CID 132965849 (PubChem CID 132965849) has the molecular formula C100H60 and a molecular weight of 1261.58 g/mol.

Molecular Properties

Compound NameCID 132965849
PubChem CID132965849
Molecular FormulaC100H60
Molecular Weight1261.58 g/mol
Exact Mass1260.47
IUPAC Name—
SMILESc1ccc2c3ccc(c2c1)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc=3c2ccccc12
InChIInChI=1S/C100H60/c1-2-22-62-61(21-1)81-41-42-82(62)84-45-46-86(66-26-6-5-25-65(66)84)88-49-50-90(70-30-10-9-29-69(70)88)92-53-54-94(74-34-14-13-33-73(74)92)96-57-58-98(78-38-18-17-37-77(78)96)100-60-59-99(79-39-19-20-40-80(79)100)97-56-55-95(75-35-15-16-36-76(75)97)93-52-51-91(71-31-11-12-32-72(71)93)89-48-47-87(67-27-7-8-28-68(67)89)85-44-43-83(81)63-23-3-4-24-64(63)85/h1-60H
InChIKeyLRLRLKMSAUNTMU-UHFFFAOYSA-N
XLogP24.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.58
LogP ≤ 524.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 132965849?
The IUPAC name of CID 132965849 (CID 132965849) is not available.
What is the SMILES notation for CID 132965849?
The canonical SMILES for CID 132965849 is c1ccc2c3ccc(c2c1)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc(c2ccccc12)=c1ccc=3c2ccccc12.
What is the InChIKey of CID 132965849?
The InChIKey is LRLRLKMSAUNTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60/c1-2-22-62-61(21-1)81-41-42-82(62)84-45-46-86(66-26-6-5-25-65(66)84)88-49-50-90(70-30-10-9-29-69(70)88)92-53-54-94(74-34-14-13-33-73(74)92)96-57-58-98(78-38-18-17-37-77(78)96)100-60-59-99(79-39-19-20-40-80(79)100)97-56-55-95(75-35-15-16-36-76(75)97)93-52-51-91(71-31-11-12-32-72(71)93)89-48-47-87(67-27-7-8-28-68(67)89)85-44-43-83(81)63-23-3-4-24-64(63)85/h1-60H.
What are the key properties of CID 132965849?
CID 132965849 has a molecular weight of 1261.58 g/mol, XLogP of 24.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132965849 is sourced from PubChem (CID 132965849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).