CID 102532137

C44H26 — CID 102532137

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2C2(c3ccccc3-c3ccccc32)c2ccccc2-1
InChIInChI=1S/C44H26/c1-7-19-34-27(13-1)28-14-2-8-20-35(28)43(34)39-24-12-6-18-33(39)41-40(43)26-25-32-31-17-5-11-23-38(31)44(42(32)41)36-21-9-3-15-29(36)30-16-4-10-22-37(30)44/h1-26H
InChIKeyUSJDPBDORBZMLC-UHFFFAOYSA-N
MW554.69 g/mol
LogP10.37
Rot. Bonds

About CID 102532137

CID 102532137 (PubChem CID 102532137) has the molecular formula C44H26 and a molecular weight of 554.69 g/mol.

Molecular Properties

Compound NameCID 102532137
PubChem CID102532137
Molecular FormulaC44H26
Molecular Weight554.69 g/mol
Exact Mass554.20
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2C2(c3ccccc3-c3ccccc32)c2ccccc2-1
InChIInChI=1S/C44H26/c1-7-19-34-27(13-1)28-14-2-8-20-35(28)43(34)39-24-12-6-18-33(39)41-40(43)26-25-32-31-17-5-11-23-38(31)44(42(32)41)36-21-9-3-15-29(36)30-16-4-10-22-37(30)44/h1-26H
InChIKeyUSJDPBDORBZMLC-UHFFFAOYSA-N
XLogP10.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 102532137?
The IUPAC name of CID 102532137 (CID 102532137) is not available.
What is the SMILES notation for CID 102532137?
The canonical SMILES for CID 102532137 is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2C2(c3ccccc3-c3ccccc32)c2ccccc2-1.
What is the InChIKey of CID 102532137?
The InChIKey is USJDPBDORBZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26/c1-7-19-34-27(13-1)28-14-2-8-20-35(28)43(34)39-24-12-6-18-33(39)41-40(43)26-25-32-31-17-5-11-23-38(31)44(42(32)41)36-21-9-3-15-29(36)30-16-4-10-22-37(30)44/h1-26H.
What are the key properties of CID 102532137?
CID 102532137 has a molecular weight of 554.69 g/mol, XLogP of 10.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102532137 is sourced from PubChem (CID 102532137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).