9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole

C42H27N7 — CID 138539155

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5c(-c6ccccc6)nc6[nH]c7ccccc7n56)ccc43)n2)cc1
InChIInChI=1S/C42H27N7/c1-4-14-27(15-5-1)37-38(49-36-23-13-11-21-33(36)43-41(49)44-37)30-24-25-35-32(26-30)31-20-10-12-22-34(31)48(35)42-46-39(28-16-6-2-7-17-28)45-40(47-42)29-18-8-3-9-19-29/h1-26H,(H,43,44)
InChIKeyWXHRJUHGSNLFMF-UHFFFAOYSA-N
MW629.73 g/mol
LogP9.77
Rot. Bonds5

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole (PubChem CID 138539155) has the molecular formula C42H27N7 and a molecular weight of 629.73 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole
PubChem CID138539155
Molecular FormulaC42H27N7
Molecular Weight629.73 g/mol
Exact Mass629.23
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5c(-c6ccccc6)nc6[nH]c7ccccc7n56)ccc43)n2)cc1
InChIInChI=1S/C42H27N7/c1-4-14-27(15-5-1)37-38(49-36-23-13-11-21-33(36)43-41(49)44-37)30-24-25-35-32(26-30)31-20-10-12-22-34(31)48(35)42-46-39(28-16-6-2-7-17-28)45-40(47-42)29-18-8-3-9-19-29/h1-26H,(H,43,44)
InChIKeyWXHRJUHGSNLFMF-UHFFFAOYSA-N
XLogP9.77
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.73
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole
CID 118487847
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole
CID 58556574
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 58038117
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole (CID 138539155) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5c(-c6ccccc6)nc6[nH]c7ccccc7n56)ccc43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole?
The InChIKey is WXHRJUHGSNLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N7/c1-4-14-27(15-5-1)37-38(49-36-23-13-11-21-33(36)43-41(49)44-37)30-24-25-35-32(26-30)31-20-10-12-22-34(31)48(35)42-46-39(28-16-6-2-7-17-28)45-40(47-42)29-18-8-3-9-19-29/h1-26H,(H,43,44).
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole has a molecular weight of 629.73 g/mol, XLogP of 9.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenyl-4H-imidazo[1,2-a]benzimidazol-1-yl)carbazole is sourced from PubChem (CID 138539155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).