CID 136704321

C68H78Ge2 — CID 136704321

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[Ge]1C2=C1/C=C\C1=C(/C=C\2)[Ge]1c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C68H78Ge2/c1-39(2)47-23-17-24-48(40(3)4)63(47)55-31-21-32-56(64-49(41(5)6)25-18-26-50(64)42(7)8)67(55)69-59-35-37-61-62(38-36-60(59)69)70(61)68-57(65-51(43(9)10)27-19-28-52(65)44(11)12)33-22-34-58(68)66-53(45(13)14)29-20-30-54(66)46(15)16/h17-46H,1-16H3/b37-35-,38-36-,59-35+,60-36+,61-37+,62-38+
InChIKeyIZNGVMKVOIGINL-JAWGHNGUSA-N
MW1040.59 g/mol
LogP18.35
Rot. Bonds14

About CID 136704321

CID 136704321 (PubChem CID 136704321) has the molecular formula C68H78Ge2 and a molecular weight of 1040.59 g/mol.

Molecular Properties

Compound NameCID 136704321
PubChem CID136704321
Molecular FormulaC68H78Ge2
Molecular Weight1040.59 g/mol
Exact Mass1042.45
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[Ge]1C2=C1/C=C\C1=C(/C=C\2)[Ge]1c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C68H78Ge2/c1-39(2)47-23-17-24-48(40(3)4)63(47)55-31-21-32-56(64-49(41(5)6)25-18-26-50(64)42(7)8)67(55)69-59-35-37-61-62(38-36-60(59)69)70(61)68-57(65-51(43(9)10)27-19-28-52(65)44(11)12)33-22-34-58(68)66-53(45(13)14)29-20-30-54(66)46(15)16/h17-46H,1-16H3/b37-35-,38-36-,59-35+,60-36+,61-37+,62-38+
InChIKeyIZNGVMKVOIGINL-JAWGHNGUSA-N
XLogP18.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001040.59
LogP ≤ 518.35
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 136704321?
The IUPAC name of CID 136704321 (CID 136704321) is not available.
What is the SMILES notation for CID 136704321?
The canonical SMILES for CID 136704321 is CC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[Ge]1C2=C1/C=C\C1=C(/C=C\2)[Ge]1c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of CID 136704321?
The InChIKey is IZNGVMKVOIGINL-JAWGHNGUSA-N. The full InChI is InChI=1S/C68H78Ge2/c1-39(2)47-23-17-24-48(40(3)4)63(47)55-31-21-32-56(64-49(41(5)6)25-18-26-50(64)42(7)8)67(55)69-59-35-37-61-62(38-36-60(59)69)70(61)68-57(65-51(43(9)10)27-19-28-52(65)44(11)12)33-22-34-58(68)66-53(45(13)14)29-20-30-54(66)46(15)16/h17-46H,1-16H3/b37-35-,38-36-,59-35+,60-36+,61-37+,62-38+.
What are the key properties of CID 136704321?
CID 136704321 has a molecular weight of 1040.59 g/mol, XLogP of 18.35, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136704321 is sourced from PubChem (CID 136704321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).