(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane

C40H27GeN3S — CID 170681776

IUPAC(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane
SMILESc1ccc([Ge](c2ccccc2)(c2ccccc2)c2nc(-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3n2)cc1
InChIInChI=1S/C40H27GeN3S/c1-4-16-28(17-5-1)41(29-18-6-2-7-19-29,30-20-8-3-9-21-30)40-42-37-33-24-12-15-27-36(33)45-38(37)39(43-40)44-34-25-13-10-22-31(34)32-23-11-14-26-35(32)44/h1-27H
InChIKeyWWNGXGSUJVNTES-UHFFFAOYSA-N
MW654.35 g/mol
LogP7.32
Rot. Bonds5

About (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane

(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane (PubChem CID 170681776) has the molecular formula C40H27GeN3S and a molecular weight of 654.35 g/mol. Its IUPAC name is (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane.

Molecular Properties

Compound Name(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane
PubChem CID170681776
Molecular FormulaC40H27GeN3S
Molecular Weight654.35 g/mol
Exact Mass655.11
IUPAC Name(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane
SMILESc1ccc([Ge](c2ccccc2)(c2ccccc2)c2nc(-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3n2)cc1
InChIInChI=1S/C40H27GeN3S/c1-4-16-28(17-5-1)41(29-18-6-2-7-19-29,30-20-8-3-9-21-30)40-42-37-33-24-12-15-27-36(33)45-38(37)39(43-40)44-34-25-13-10-22-31(34)32-23-11-14-26-35(32)44/h1-27H
InChIKeyWWNGXGSUJVNTES-UHFFFAOYSA-N
XLogP7.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.35
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane
CID 170681750
4-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232334
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118328170
4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232332
2-(2-carbazol-9-ylphenyl)-4-(2-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177271552
4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 139551093
2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118232385
24-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 130222384
4-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 137433879
2-chloro-4-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 130260242
9-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 130222435
4-benzo[c]carbazol-7-yl-2-propan-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 130266224

Frequently Asked Questions

What is the IUPAC name of (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane?
The IUPAC name of (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane (CID 170681776) is (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane.
What is the SMILES notation for (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane?
The canonical SMILES for (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane is c1ccc([Ge](c2ccccc2)(c2ccccc2)c2nc(-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3n2)cc1.
What is the InChIKey of (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane?
The InChIKey is WWNGXGSUJVNTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27GeN3S/c1-4-16-28(17-5-1)41(29-18-6-2-7-19-29,30-20-8-3-9-21-30)40-42-37-33-24-12-15-27-36(33)45-38(37)39(43-40)44-34-25-13-10-22-31(34)32-23-11-14-26-35(32)44/h1-27H.
What are the key properties of (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane?
(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane has a molecular weight of 654.35 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane is sourced from PubChem (CID 170681776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).