2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine

C58H38GeN4 — CID 140805554

IUPAC2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C58H38GeN4/c1-5-20-39(21-6-1)58-60-56(55-57(61-58)45-30-13-16-33-48(45)59(55,41-23-7-2-8-24-41)42-25-9-3-10-26-42)40-22-19-29-44(38-40)63-50-35-18-15-32-47(50)54-52(63)37-36-51-53(54)46-31-14-17-34-49(46)62(51)43-27-11-4-12-28-43/h1-38H
InChIKeyJSISDQNGMSFSRT-UHFFFAOYSA-N
MW863.58 g/mol
LogP11.36
Rot. Bonds6

About 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine

2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine (PubChem CID 140805554) has the molecular formula C58H38GeN4 and a molecular weight of 863.58 g/mol. Its IUPAC name is 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
PubChem CID140805554
Molecular FormulaC58H38GeN4
Molecular Weight863.58 g/mol
Exact Mass864.23
IUPAC Name2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C58H38GeN4/c1-5-20-39(21-6-1)58-60-56(55-57(61-58)45-30-13-16-33-48(45)59(55,41-23-7-2-8-24-41)42-25-9-3-10-26-42)40-22-19-29-44(38-40)63-50-35-18-15-32-47(50)54-52(63)37-36-51-53(54)46-31-14-17-34-49(46)62(51)43-27-11-4-12-28-43/h1-38H
InChIKeyJSISDQNGMSFSRT-UHFFFAOYSA-N
XLogP11.36
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.58
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine with MolForge

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Related Compounds

4,5,5-triphenyl-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805863
4,5,5-triphenyl-2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805764
2,5,5-triphenyl-4-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 140805164
2,9,9-triphenyl-4-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805565
2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805545
2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;4,5,5-triphenyl-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
CID 158437354
7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 140805416
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122598828
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
5-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 140804929

Frequently Asked Questions

What is the IUPAC name of 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine?
The IUPAC name of 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine (CID 140805554) is 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine.
What is the SMILES notation for 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine?
The canonical SMILES for 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine?
The InChIKey is JSISDQNGMSFSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38GeN4/c1-5-20-39(21-6-1)58-60-56(55-57(61-58)45-30-13-16-33-48(45)59(55,41-23-7-2-8-24-41)42-25-9-3-10-26-42)40-22-19-29-44(38-40)63-50-35-18-15-32-47(50)54-52(63)37-36-51-53(54)46-31-14-17-34-49(46)62(51)43-27-11-4-12-28-43/h1-38H.
What are the key properties of 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine?
2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine has a molecular weight of 863.58 g/mol, XLogP of 11.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triphenyl-4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine is sourced from PubChem (CID 140805554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).