CID 102414676

C68H82Ge2 — CID 102414676

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[Ge]1C=CC2C3C=C[Ge](c4c(-c5c(C(C)C)cccc5C(C)C)cccc4-c4c(C(C)C)cccc4C(C)C)C3C21
InChIInChI=1S/C68H82Ge2/c1-39(2)47-23-17-24-48(40(3)4)61(47)57-31-21-32-58(62-49(41(5)6)25-18-26-50(62)42(7)8)65(57)69-37-35-55-56-36-38-70(68(56)67(55)69)66-59(63-51(43(9)10)27-19-28-52(63)44(11)12)33-22-34-60(66)64-53(45(13)14)29-20-30-54(64)46(15)16/h17-46,55-56,67-68H,1-16H3
InChIKeyJBNVRACACLYHHQ-UHFFFAOYSA-N
MW1044.62 g/mol
LogP18.65
Rot. Bonds14

About CID 102414676

CID 102414676 (PubChem CID 102414676) has the molecular formula C68H82Ge2 and a molecular weight of 1044.62 g/mol.

Molecular Properties

Compound NameCID 102414676
PubChem CID102414676
Molecular FormulaC68H82Ge2
Molecular Weight1044.62 g/mol
Exact Mass1046.48
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[Ge]1C=CC2C3C=C[Ge](c4c(-c5c(C(C)C)cccc5C(C)C)cccc4-c4c(C(C)C)cccc4C(C)C)C3C21
InChIInChI=1S/C68H82Ge2/c1-39(2)47-23-17-24-48(40(3)4)61(47)57-31-21-32-58(62-49(41(5)6)25-18-26-50(62)42(7)8)65(57)69-37-35-55-56-36-38-70(68(56)67(55)69)66-59(63-51(43(9)10)27-19-28-52(63)44(11)12)33-22-34-60(66)64-53(45(13)14)29-20-30-54(64)46(15)16/h17-46,55-56,67-68H,1-16H3
InChIKeyJBNVRACACLYHHQ-UHFFFAOYSA-N
XLogP18.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.62
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 102414676?
The IUPAC name of CID 102414676 (CID 102414676) is not available.
What is the SMILES notation for CID 102414676?
The canonical SMILES for CID 102414676 is CC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[Ge]1C=CC2C3C=C[Ge](c4c(-c5c(C(C)C)cccc5C(C)C)cccc4-c4c(C(C)C)cccc4C(C)C)C3C21.
What is the InChIKey of CID 102414676?
The InChIKey is JBNVRACACLYHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H82Ge2/c1-39(2)47-23-17-24-48(40(3)4)61(47)57-31-21-32-58(62-49(41(5)6)25-18-26-50(62)42(7)8)65(57)69-37-35-55-56-36-38-70(68(56)67(55)69)66-59(63-51(43(9)10)27-19-28-52(63)44(11)12)33-22-34-60(66)64-53(45(13)14)29-20-30-54(64)46(15)16/h17-46,55-56,67-68H,1-16H3.
What are the key properties of CID 102414676?
CID 102414676 has a molecular weight of 1044.62 g/mol, XLogP of 18.65, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102414676 is sourced from PubChem (CID 102414676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).