[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane

C59H44GeN4 — CID 160852367

IUPAC[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C59H44GeN4/c1-41-28-36-55-53(38-41)54-39-42(2)29-37-56(54)64(55)50-34-35-51(59-62-57(44-18-8-3-9-19-44)61-58(63-59)45-20-10-4-11-21-45)52(40-50)43-30-32-49(33-31-43)60(46-22-12-5-13-23-46,47-24-14-6-15-25-47)48-26-16-7-17-27-48/h3-40H,1-2H3
InChIKeyZJAHKWFBOFQHBU-UHFFFAOYSA-N
MW881.64 g/mol
LogP11.63
Rot. Bonds9

About [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane

[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane (PubChem CID 160852367) has the molecular formula C59H44GeN4 and a molecular weight of 881.64 g/mol. Its IUPAC name is [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane.

Molecular Properties

Compound Name[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane
PubChem CID160852367
Molecular FormulaC59H44GeN4
Molecular Weight881.64 g/mol
Exact Mass882.28
IUPAC Name[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C59H44GeN4/c1-41-28-36-55-53(38-41)54-39-42(2)29-37-56(54)64(55)50-34-35-51(59-62-57(44-18-8-3-9-19-44)61-58(63-59)45-20-10-4-11-21-45)52(40-50)43-30-32-49(33-31-43)60(46-22-12-5-13-23-46,47-24-14-6-15-25-47)48-26-16-7-17-27-48/h3-40H,1-2H3
InChIKeyZJAHKWFBOFQHBU-UHFFFAOYSA-N
XLogP11.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.64
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
CID 147974428
[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
CID 159510223
[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
CID 158572406
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole
CID 139533365
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962
2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 170097956
9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 142508189
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole
CID 159546034
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-dimethylcarbazole;ethane
CID 142555822
[2-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane
CID 161291237
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 138486673
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
CID 174181977

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane?
The IUPAC name of [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane (CID 160852367) is [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane.
What is the SMILES notation for [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane?
The canonical SMILES for [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane?
The InChIKey is ZJAHKWFBOFQHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44GeN4/c1-41-28-36-55-53(38-41)54-39-42(2)29-37-56(54)64(55)50-34-35-51(59-62-57(44-18-8-3-9-19-44)61-58(63-59)45-20-10-4-11-21-45)52(40-50)43-30-32-49(33-31-43)60(46-22-12-5-13-23-46,47-24-14-6-15-25-47)48-26-16-7-17-27-48/h3-40H,1-2H3.
What are the key properties of [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane?
[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane has a molecular weight of 881.64 g/mol, XLogP of 11.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane is sourced from PubChem (CID 160852367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).