5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one

C41H25N7O — CID 164776379

IUPAC5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C41H25N7O/c49-41-46(34-21-11-8-18-30(34)39-42-32-19-9-12-22-36(32)48(39)41)28-23-24-35-31(25-28)29-17-7-10-20-33(29)47(35)40-44-37(26-13-3-1-4-14-26)43-38(45-40)27-15-5-2-6-16-27/h1-25H
InChIKeyNUOYREAZICVJJI-UHFFFAOYSA-N
MW631.70 g/mol
LogP8.41
Rot. Bonds4

About 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one

5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one (PubChem CID 164776379) has the molecular formula C41H25N7O and a molecular weight of 631.70 g/mol. Its IUPAC name is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one
PubChem CID164776379
Molecular FormulaC41H25N7O
Molecular Weight631.70 g/mol
Exact Mass631.21
IUPAC Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C41H25N7O/c49-41-46(34-21-11-8-18-30(34)39-42-32-19-9-12-22-36(32)48(39)41)28-23-24-35-31(25-28)29-17-7-10-20-33(29)47(35)40-44-37(26-13-3-1-4-14-26)43-38(45-40)27-15-5-2-6-16-27/h1-25H
InChIKeyNUOYREAZICVJJI-UHFFFAOYSA-N
XLogP8.41
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.70
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
CID 164776394
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
18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,20,22,24-undecaene-19-thione
CID 165126015
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851
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-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,10,20-triazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,21,23,25,27-tridecaene
CID 90432043
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one?
The IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one (CID 164776379) is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one is O=c1n(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one?
The InChIKey is NUOYREAZICVJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N7O/c49-41-46(34-21-11-8-18-30(34)39-42-32-19-9-12-22-36(32)48(39)41)28-23-24-35-31(25-28)29-17-7-10-20-33(29)47(35)40-44-37(26-13-3-1-4-14-26)43-38(45-40)27-15-5-2-6-16-27/h1-25H.
What are the key properties of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one?
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one has a molecular weight of 631.70 g/mol, XLogP of 8.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 164776379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).