12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

C52H33GeN3O — CID 140805226

IUPAC12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3O/c1-4-17-34(18-5-1)49-48-41-26-10-13-28-43(41)53(36-20-6-2-7-21-36,37-22-8-3-9-23-37)51(48)55-52(54-49)35-19-16-24-38(33-35)56-44-29-14-11-25-39(44)40-31-32-46-47(50(40)56)42-27-12-15-30-45(42)57-46/h1-33H
InChIKeyWCAGHUZFQGCWDN-UHFFFAOYSA-N
MW788.47 g/mol
LogP10.16
Rot. Bonds5

About 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 140805226) has the molecular formula C52H33GeN3O and a molecular weight of 788.47 g/mol. Its IUPAC name is 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID140805226
Molecular FormulaC52H33GeN3O
Molecular Weight788.47 g/mol
Exact Mass789.18
IUPAC Name12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H33GeN3O/c1-4-17-34(18-5-1)49-48-41-26-10-13-28-43(41)53(36-20-6-2-7-21-36,37-22-8-3-9-23-37)51(48)55-52(54-49)35-19-16-24-38(33-35)56-44-29-14-11-25-39(44)40-31-32-46-47(50(40)56)42-27-12-15-30-45(42)57-46/h1-33H
InChIKeyWCAGHUZFQGCWDN-UHFFFAOYSA-N
XLogP10.16
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.47
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,9,9-triphenyl-2-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805894
12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 140805366
2-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine
CID 140805919
14-[4-(2,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-4-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140805389
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
2,9,9-triphenyl-4-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805565
4,9,9-triphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzogermolo[2,3-d]pyrimidine
CID 140804880
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;5-[2-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;4,9,9-triphenyl-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 160628510
12-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334102
4,5,5-triphenyl-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805863
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
4-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678197

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (CID 140805226) is 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is WCAGHUZFQGCWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33GeN3O/c1-4-17-34(18-5-1)49-48-41-26-10-13-28-43(41)53(36-20-6-2-7-21-36,37-22-8-3-9-23-37)51(48)55-52(54-49)35-19-16-24-38(33-35)56-44-29-14-11-25-39(44)40-31-32-46-47(50(40)56)42-27-12-15-30-45(42)57-46/h1-33H.
What are the key properties of 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 788.47 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 140805226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).