[6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane

C38H36GeN2 — CID 168743401

IUPAC[6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane
SMILESCC(C)(C)c1ccccc1-n1c(-c2ccc3c4ccccc4c4cc([Ge](C)(C)C)ccc4c3c2)nc2ccccc21
InChIInChI=1S/C38H36GeN2/c1-38(2,3)33-15-9-11-17-35(33)41-36-18-12-10-16-34(36)40-37(41)25-19-21-29-27-13-7-8-14-28(27)32-24-26(39(4,5)6)20-22-30(32)31(29)23-25/h7-24H,1-6H3
InChIKeyKBXANECWYCDLKK-UHFFFAOYSA-N
MW593.33 g/mol
LogP9.99
Rot. Bonds3

About [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane

[6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane (PubChem CID 168743401) has the molecular formula C38H36GeN2 and a molecular weight of 593.33 g/mol. Its IUPAC name is [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane.

Molecular Properties

Compound Name[6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane
PubChem CID168743401
Molecular FormulaC38H36GeN2
Molecular Weight593.33 g/mol
Exact Mass594.21
IUPAC Name[6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane
SMILESCC(C)(C)c1ccccc1-n1c(-c2ccc3c4ccccc4c4cc([Ge](C)(C)C)ccc4c3c2)nc2ccccc21
InChIInChI=1S/C38H36GeN2/c1-38(2,3)33-15-9-11-17-35(33)41-36-18-12-10-16-34(36)40-37(41)25-19-21-29-27-13-7-8-14-28(27)32-24-26(39(4,5)6)20-22-30(32)31(29)23-25/h7-24H,1-6H3
InChIKeyKBXANECWYCDLKK-UHFFFAOYSA-N
XLogP9.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.33
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]-7H-triphenylen-7-id-2-yl]-trimethylgermane;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 168743400
9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702478
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
1-(2,6-ditert-butyl-4-phenylphenyl)-2-phenanthren-3-ylbenzimidazole
CID 170531895
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
15-triphenylen-2-yl-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516424
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
3-tert-butyl-4-(4-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1(34),2(7),3,5,8,10,12,14,16,18(36),19,21,23,25,27,29,31(35),32-octadecaenyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 137492651
2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]-1-phenylbenzimidazole
CID 167410699

Frequently Asked Questions

What is the IUPAC name of [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane?
The IUPAC name of [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane (CID 168743401) is [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane.
What is the SMILES notation for [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane?
The canonical SMILES for [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane is CC(C)(C)c1ccccc1-n1c(-c2ccc3c4ccccc4c4cc([Ge](C)(C)C)ccc4c3c2)nc2ccccc21.
What is the InChIKey of [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane?
The InChIKey is KBXANECWYCDLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36GeN2/c1-38(2,3)33-15-9-11-17-35(33)41-36-18-12-10-16-34(36)40-37(41)25-19-21-29-27-13-7-8-14-28(27)32-24-26(39(4,5)6)20-22-30(32)31(29)23-25/h7-24H,1-6H3.
What are the key properties of [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane?
[6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane has a molecular weight of 593.33 g/mol, XLogP of 9.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(2-tert-butylphenyl)benzimidazol-2-yl]triphenylen-2-yl]-trimethylgermane is sourced from PubChem (CID 168743401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).