[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane

C45H31GeN5 — CID 170681730

IUPAC[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane
SMILESc1ccc([Ge](c2ccccc2)(c2ccccc2)c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H31GeN5/c1-4-18-32(19-5-1)46(33-20-6-2-7-21-33,34-22-8-3-9-23-34)43-47-44(50-39-28-14-10-24-35(39)36-25-11-15-29-40(36)50)49-45(48-43)51-41-30-16-12-26-37(41)38-27-13-17-31-42(38)51/h1-31H
InChIKeyXTFIVWYWKOWZNM-UHFFFAOYSA-N
MW714.39 g/mol
LogP7.44
Rot. Bonds6

About [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane

[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane (PubChem CID 170681730) has the molecular formula C45H31GeN5 and a molecular weight of 714.39 g/mol. Its IUPAC name is [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane.

Molecular Properties

Compound Name[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane
PubChem CID170681730
Molecular FormulaC45H31GeN5
Molecular Weight714.39 g/mol
Exact Mass715.18
IUPAC Name[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane
SMILESc1ccc([Ge](c2ccccc2)(c2ccccc2)c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H31GeN5/c1-4-18-32(19-5-1)46(33-20-6-2-7-21-33,34-22-8-3-9-23-34)43-47-44(50-39-28-14-10-24-35(39)36-25-11-15-29-40(36)50)49-45(48-43)51-41-30-16-12-26-37(41)38-27-13-17-31-42(38)51/h1-31H
InChIKeyXTFIVWYWKOWZNM-UHFFFAOYSA-N
XLogP7.44
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.39
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
[4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane
CID 170681732
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane
CID 170681775
(4-carbazol-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-triphenylgermane
CID 170681776
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
9-[4-(4-chlorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155445890
9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 59194526
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616

Frequently Asked Questions

What is the IUPAC name of [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane?
The IUPAC name of [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane (CID 170681730) is [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane.
What is the SMILES notation for [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane?
The canonical SMILES for [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane is c1ccc([Ge](c2ccccc2)(c2ccccc2)c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane?
The InChIKey is XTFIVWYWKOWZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31GeN5/c1-4-18-32(19-5-1)46(33-20-6-2-7-21-33,34-22-8-3-9-23-34)43-47-44(50-39-28-14-10-24-35(39)36-25-11-15-29-40(36)50)49-45(48-43)51-41-30-16-12-26-37(41)38-27-13-17-31-42(38)51/h1-31H.
What are the key properties of [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane?
[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane has a molecular weight of 714.39 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane is sourced from PubChem (CID 170681730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).