CID 139143907

C48H48Ge4N4S10 — CID 139143907

IUPAC—
SMILESS1[Ge]2S[Ge]3S[Ge]1S[Ge](S2)S3.[SH-].[SH-].[SH-].[SH-].c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/2C24H22N2.Ge4S6.4H2S/c2*1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;5-1-6-3-8-2(5)9-4(7-1)10-3;;;;/h2*1-18H,19-20H2;;4*1H2/q2*+2;;;;;/p-4
InChIKeySUYHHKRVBPMKTL-UHFFFAOYSA-J
MW1292.05 g/mol
LogP9.34
Rot. Bonds10

About CID 139143907

CID 139143907 (PubChem CID 139143907) has the molecular formula C48H48Ge4N4S10 and a molecular weight of 1292.05 g/mol.

Molecular Properties

Compound NameCID 139143907
PubChem CID139143907
Molecular FormulaC48H48Ge4N4S10
Molecular Weight1292.05 g/mol
Exact Mass1295.79
IUPAC Name—
SMILESS1[Ge]2S[Ge]3S[Ge]1S[Ge](S2)S3.[SH-].[SH-].[SH-].[SH-].c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/2C24H22N2.Ge4S6.4H2S/c2*1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;5-1-6-3-8-2(5)9-4(7-1)10-3;;;;/h2*1-18H,19-20H2;;4*1H2/q2*+2;;;;;/p-4
InChIKeySUYHHKRVBPMKTL-UHFFFAOYSA-J
XLogP9.34
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001292.05
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-phenylpyridin-1-ium chloride
CID 10468957
4-azulen-2-yl-1-benzylpyridin-1-ium
CID 139730887
1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4-[1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 89253840
1-benzyl-4-[1-[[2-[[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium tetraperchlorate
CID 10819810
1-benzylpyridin-1-ium;copper
CID 175162288
1-benzyl-4-(3-methylphenyl)pyridin-1-ium
CID 139731998
1-benzylpyridin-1-ium-4-amine bromide
CID 17255915
1-benzylpyridin-1-ium;ethane
CID 90840399
1,2-dibenzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium
CID 102266742
1-benzyl-4-(1-benzylpyrrol-3-yl)pyridin-1-ium
CID 144994507
(1-benzylpyridin-1-ium-4-yl)methanol bromide
CID 24741348
bis(1-benzylpyridin-1-ium-4-yl)diazene dibromide
CID 10768439

Frequently Asked Questions

What is the IUPAC name of CID 139143907?
The IUPAC name of CID 139143907 (CID 139143907) is not available.
What is the SMILES notation for CID 139143907?
The canonical SMILES for CID 139143907 is S1[Ge]2S[Ge]3S[Ge]1S[Ge](S2)S3.[SH-].[SH-].[SH-].[SH-].c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of CID 139143907?
The InChIKey is SUYHHKRVBPMKTL-UHFFFAOYSA-J. The full InChI is InChI=1S/2C24H22N2.Ge4S6.4H2S/c2*1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;5-1-6-3-8-2(5)9-4(7-1)10-3;;;;/h2*1-18H,19-20H2;;4*1H2/q2*+2;;;;;/p-4.
What are the key properties of CID 139143907?
CID 139143907 has a molecular weight of 1292.05 g/mol, XLogP of 9.34, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139143907 is sourced from PubChem (CID 139143907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).