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

C52H34GeN4S — CID 170681750

IUPAC[9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane
SMILESc1ccc([Ge](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3n2)cc1
InChIInChI=1S/C52H34GeN4S/c1-4-18-35(19-5-1)53(36-20-6-2-7-21-36,37-22-8-3-9-23-37)38-32-33-47-43(34-38)41-26-12-16-30-46(41)57(47)52-54-49-42-27-13-17-31-48(42)58-50(49)51(55-52)56-44-28-14-10-24-39(44)40-25-11-15-29-45(40)56/h1-34H
InChIKeyMWPZRROLFYJLHM-UHFFFAOYSA-N
MW819.55 g/mol
LogP10.42
Rot. Bonds6

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

[9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane (PubChem CID 170681750) has the molecular formula C52H34GeN4S and a molecular weight of 819.55 g/mol. Its IUPAC name is [9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane.

Molecular Properties

Compound Name[9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane
PubChem CID170681750
Molecular FormulaC52H34GeN4S
Molecular Weight819.55 g/mol
Exact Mass820.17
IUPAC Name[9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane
SMILESc1ccc([Ge](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3n2)cc1
InChIInChI=1S/C52H34GeN4S/c1-4-18-35(19-5-1)53(36-20-6-2-7-21-36,37-22-8-3-9-23-37)38-32-33-47-43(34-38)41-26-12-16-30-46(41)57(47)52-54-49-42-27-13-17-31-48(42)58-50(49)51(55-52)56-44-28-14-10-24-39(44)40-25-11-15-29-45(40)56/h1-34H
InChIKeyMWPZRROLFYJLHM-UHFFFAOYSA-N
XLogP10.42
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.55
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane
CID 170681776
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118328170
2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118232385
4-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 137433879
4-benzo[c]carbazol-7-yl-2-(12,27-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20(28),21,23,25-tetradecaen-27-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 130258307
4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232332
2-benzo[c]carbazol-7-yl-4-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 130258335
4-carbazol-9-yl-2-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaen-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 130259201
2-benzo[b]carbazol-5-yl-4-fluoranthen-3-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 146391723
4-benzo[c]carbazol-7-yl-2-(12,27-diazaoctacyclo[17.10.1.02,11.05,10.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20(28),21,23,25-tetradecaen-27-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 130259445
4-carbazol-9-yl-2-(12,21-diazaoctacyclo[17.10.1.02,11.05,10.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaen-21-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 130258230
4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 139551093

Frequently Asked Questions

What is the IUPAC name of [9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane?
The IUPAC name of [9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane (CID 170681750) is [9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane.
What is the SMILES notation for [9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane?
The canonical SMILES for [9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane is c1ccc([Ge](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2nc(-n3c4ccccc4c4ccccc43)c3sc4ccccc4c3n2)cc1.
What is the InChIKey of [9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane?
The InChIKey is MWPZRROLFYJLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34GeN4S/c1-4-18-35(19-5-1)53(36-20-6-2-7-21-36,37-22-8-3-9-23-37)38-32-33-47-43(34-38)41-26-12-16-30-46(41)57(47)52-54-49-42-27-13-17-31-48(42)58-50(49)51(55-52)56-44-28-14-10-24-39(44)40-25-11-15-29-45(40)56/h1-34H.
What are the key properties of [9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane?
[9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane has a molecular weight of 819.55 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-triphenylgermane is sourced from PubChem (CID 170681750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).