4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine

C58H38GeN4 — CID 140805259

IUPAC4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C58H38GeN4/c1-5-21-39(22-6-1)54-53-55(47-31-13-17-33-49(47)59(53,40-23-7-2-8-24-40)41-25-9-3-10-26-41)61-58(60-54)48-32-16-20-36-52(48)63-51-35-19-15-30-44(51)46-38-37-45-43-29-14-18-34-50(43)62(56(45)57(46)63)42-27-11-4-12-28-42/h1-38H
InChIKeyLMVRZWZZTBQDDY-UHFFFAOYSA-N
MW863.58 g/mol
LogP11.36
Rot. Bonds6

About 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine

4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine (PubChem CID 140805259) has the molecular formula C58H38GeN4 and a molecular weight of 863.58 g/mol. Its IUPAC name is 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
PubChem CID140805259
Molecular FormulaC58H38GeN4
Molecular Weight863.58 g/mol
Exact Mass864.23
IUPAC Name4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C58H38GeN4/c1-5-21-39(22-6-1)54-53-55(47-31-13-17-33-49(47)59(53,40-23-7-2-8-24-40)41-25-9-3-10-26-41)61-58(60-54)48-32-16-20-36-52(48)63-51-35-19-15-30-44(51)46-38-37-45-43-29-14-18-34-50(43)62(56(45)57(46)63)42-27-11-4-12-28-42/h1-38H
InChIKeyLMVRZWZZTBQDDY-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

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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
11-phenyl-12-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014688
2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805888
4,9,9-triphenyl-2-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine
CID 140805894
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
7-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 140805416
7-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2,4,5,5-tetraphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 164730489
11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805704
2-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
CID 140805545
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554

Frequently Asked Questions

What is the IUPAC name of 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine?
The IUPAC name of 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine (CID 140805259) is 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine.
What is the SMILES notation for 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine?
The canonical SMILES for 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine?
The InChIKey is LMVRZWZZTBQDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38GeN4/c1-5-21-39(22-6-1)54-53-55(47-31-13-17-33-49(47)59(53,40-23-7-2-8-24-40)41-25-9-3-10-26-41)61-58(60-54)48-32-16-20-36-52(48)63-51-35-19-15-30-44(51)46-38-37-45-43-29-14-18-34-50(43)62(56(45)57(46)63)42-27-11-4-12-28-42/h1-38H.
What are the key properties of 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine?
4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-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 4,5,5-triphenyl-2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine is sourced from PubChem (CID 140805259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).