11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole

C46H29GeN3O — CID 140805659

IUPAC11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc3c(c(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C46H29GeN3O/c1-4-16-30(17-5-1)45-48-44-35-24-10-13-25-38(35)47(31-18-6-2-7-19-31,32-20-8-3-9-21-32)43(44)46(49-45)50-39-26-14-11-22-33(39)36-29-42-37(28-40(36)50)34-23-12-15-27-41(34)51-42/h1-29H
InChIKeyWCLDQPGNFQDKOH-UHFFFAOYSA-N
MW712.37 g/mol
LogP8.50
Rot. Bonds4

About 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole

11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 140805659) has the molecular formula C46H29GeN3O and a molecular weight of 712.37 g/mol. Its IUPAC name is 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole
PubChem CID140805659
Molecular FormulaC46H29GeN3O
Molecular Weight712.37 g/mol
Exact Mass713.15
IUPAC Name11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc3c(c(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C46H29GeN3O/c1-4-16-30(17-5-1)45-48-44-35-24-10-13-25-38(35)47(31-18-6-2-7-19-31,32-20-8-3-9-21-32)43(44)46(49-45)50-39-26-14-11-22-33(39)36-29-42-37(28-40(36)50)34-23-12-15-27-41(34)51-42/h1-29H
InChIKeyWCLDQPGNFQDKOH-UHFFFAOYSA-N
XLogP8.50
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.37
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805704
11-[4-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;4,5,5-triphenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 162188506
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805764
11-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 140805712
11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 130327477
2,5,5-triphenyl-4-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805164
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 163515985
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;11-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;4,9,9-triphenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 157290046
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 130334516

Frequently Asked Questions

What is the IUPAC name of 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole (CID 140805659) is 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc3c(c(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is WCLDQPGNFQDKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29GeN3O/c1-4-16-30(17-5-1)45-48-44-35-24-10-13-25-38(35)47(31-18-6-2-7-19-31,32-20-8-3-9-21-32)43(44)46(49-45)50-39-26-14-11-22-33(39)36-29-42-37(28-40(36)50)34-23-12-15-27-41(34)51-42/h1-29H.
What are the key properties of 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole?
11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 712.37 g/mol, XLogP of 8.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 140805659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).