CID 140690110

C45H28GeN3OS — CID 140690110

IUPAC—
SMILESc1ccc(-c2ccc3occ(-n4c5ccccc5c5cc6sc7c8ccccc8n([Ge](c8ccccc8)c8ccccc8)c7c6nc54)c3c2)cc1
InChIInChI=1S/C45H28GeN3OS/c1-4-14-29(15-5-1)30-24-25-40-36(26-30)39(28-50-40)48-37-22-12-10-20-33(37)35-27-41-42(47-45(35)48)43-44(51-41)34-21-11-13-23-38(34)49(43)46(31-16-6-2-7-17-31)32-18-8-3-9-19-32/h1-28H
InChIKeyHXNQXVIHVYRKCL-UHFFFAOYSA-N
MW731.42 g/mol
LogP10.57
Rot. Bonds5

About CID 140690110

CID 140690110 (PubChem CID 140690110) has the molecular formula C45H28GeN3OS and a molecular weight of 731.42 g/mol.

Molecular Properties

Compound NameCID 140690110
PubChem CID140690110
Molecular FormulaC45H28GeN3OS
Molecular Weight731.42 g/mol
Exact Mass732.12
IUPAC Name—
SMILESc1ccc(-c2ccc3occ(-n4c5ccccc5c5cc6sc7c8ccccc8n([Ge](c8ccccc8)c8ccccc8)c7c6nc54)c3c2)cc1
InChIInChI=1S/C45H28GeN3OS/c1-4-14-29(15-5-1)30-24-25-40-36(26-30)39(28-50-40)48-37-22-12-10-20-33(37)35-27-41-42(47-45(35)48)43-44(51-41)34-21-11-13-23-38(34)49(43)46(31-16-6-2-7-17-31)32-18-8-3-9-19-32/h1-28H
InChIKeyHXNQXVIHVYRKCL-UHFFFAOYSA-N
XLogP10.57
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.42
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 140691420
CID 140691420
3-[9-(1-benzofuran-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 90350957
2-(2-carbazol-9-ylphenyl)-4-(2-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177271552
12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165045068
8-dibenzofuran-2-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827969
11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 90050891
12-[6-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156574969
9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 166952583
7-carbazol-9-yl-12-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171591812
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 169011294
4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 165101117
9-(8-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)-2-phenylcarbazole
CID 147837275

Frequently Asked Questions

What is the IUPAC name of CID 140690110?
The IUPAC name of CID 140690110 (CID 140690110) is not available.
What is the SMILES notation for CID 140690110?
The canonical SMILES for CID 140690110 is c1ccc(-c2ccc3occ(-n4c5ccccc5c5cc6sc7c8ccccc8n([Ge](c8ccccc8)c8ccccc8)c7c6nc54)c3c2)cc1.
What is the InChIKey of CID 140690110?
The InChIKey is HXNQXVIHVYRKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28GeN3OS/c1-4-14-29(15-5-1)30-24-25-40-36(26-30)39(28-50-40)48-37-22-12-10-20-33(37)35-27-41-42(47-45(35)48)43-44(51-41)34-21-11-13-23-38(34)49(43)46(31-16-6-2-7-17-31)32-18-8-3-9-19-32/h1-28H.
What are the key properties of CID 140690110?
CID 140690110 has a molecular weight of 731.42 g/mol, XLogP of 10.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140690110 is sourced from PubChem (CID 140690110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).