CID 59863416

C52H55Ge — CID 59863416

IUPAC—
SMILESCCC1(CC)c2cc(-c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)ccc2-c2ccc([Ge](c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C52H55Ge/c1-11-52(12-2)45-29-34(43-30-36(50(6,7)8)32-47-48(43)42-27-24-35(49(3,4)5)31-44(42)51(47,9)10)23-26-40(45)41-28-25-39(33-46(41)52)53(37-19-15-13-16-20-37)38-21-17-14-18-22-38/h13-33H,11-12H2,1-10H3
InChIKeyMDISMQLEKYXTBG-UHFFFAOYSA-N
MW752.62 g/mol
LogP11.86
Rot. Bonds6

About CID 59863416

CID 59863416 (PubChem CID 59863416) has the molecular formula C52H55Ge and a molecular weight of 752.62 g/mol.

Molecular Properties

Compound NameCID 59863416
PubChem CID59863416
Molecular FormulaC52H55Ge
Molecular Weight752.62 g/mol
Exact Mass753.35
IUPAC Name—
SMILESCCC1(CC)c2cc(-c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)ccc2-c2ccc([Ge](c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C52H55Ge/c1-11-52(12-2)45-29-34(43-30-36(50(6,7)8)32-47-48(43)42-27-24-35(49(3,4)5)31-44(42)51(47,9)10)23-26-40(45)41-28-25-39(33-46(41)52)53(37-19-15-13-16-20-37)38-21-17-14-18-22-38/h13-33H,11-12H2,1-10H3
InChIKeyMDISMQLEKYXTBG-UHFFFAOYSA-N
XLogP11.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.62
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-phenylphenyl)phenyl]fluorene
CID 58986922
2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
CID 58986902
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
CID 58986985
6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene
CID 59782352
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962
1-[7-(7-tert-butyl-9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]pyrene
CID 123355674
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612

Frequently Asked Questions

What is the IUPAC name of CID 59863416?
The IUPAC name of CID 59863416 (CID 59863416) is not available.
What is the SMILES notation for CID 59863416?
The canonical SMILES for CID 59863416 is CCC1(CC)c2cc(-c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)ccc2-c2ccc([Ge](c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of CID 59863416?
The InChIKey is MDISMQLEKYXTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H55Ge/c1-11-52(12-2)45-29-34(43-30-36(50(6,7)8)32-47-48(43)42-27-24-35(49(3,4)5)31-44(42)51(47,9)10)23-26-40(45)41-28-25-39(33-46(41)52)53(37-19-15-13-16-20-37)38-21-17-14-18-22-38/h13-33H,11-12H2,1-10H3.
What are the key properties of CID 59863416?
CID 59863416 has a molecular weight of 752.62 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59863416 is sourced from PubChem (CID 59863416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).