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

C47H29N7O — CID 163720312

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2n2c3ccccc3nc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C47H29N7O/c55-45-36-26-24-33(32-25-27-40-37(28-32)35-20-10-12-22-39(35)52(40)34-18-8-3-9-19-34)29-42(36)53-41-23-13-11-21-38(41)48-47(53)54(45)46-50-43(30-14-4-1-5-15-30)49-44(51-46)31-16-6-2-7-17-31/h1-29H
InChIKeyBMOGXNJAYMDTQC-UHFFFAOYSA-N
MW707.80 g/mol
LogP10.07
Rot. Bonds5

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

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one (PubChem CID 163720312) has the molecular formula C47H29N7O and a molecular weight of 707.80 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one
PubChem CID163720312
Molecular FormulaC47H29N7O
Molecular Weight707.80 g/mol
Exact Mass707.24
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2n2c3ccccc3nc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C47H29N7O/c55-45-36-26-24-33(32-25-27-40-37(28-32)35-20-10-12-22-39(35)52(40)34-18-8-3-9-19-34)29-42(36)53-41-23-13-11-21-38(41)48-47(53)54(45)46-50-43(30-14-4-1-5-15-30)49-44(51-46)31-16-6-2-7-17-31/h1-29H
InChIKeyBMOGXNJAYMDTQC-UHFFFAOYSA-N
XLogP10.07
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.80
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene
CID 163885630
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one
CID 171448152
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
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-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863036
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
CID 118083985
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-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone
CID 121276664

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one (CID 163720312) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one is O=c1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2n2c3ccccc3nc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one?
The InChIKey is BMOGXNJAYMDTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N7O/c55-45-36-26-24-33(32-25-27-40-37(28-32)35-20-10-12-22-39(35)52(40)34-18-8-3-9-19-34)29-42(36)53-41-23-13-11-21-38(41)48-47(53)54(45)46-50-43(30-14-4-1-5-15-30)49-44(51-46)31-16-6-2-7-17-31/h1-29H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one has a molecular weight of 707.80 g/mol, XLogP of 10.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 163720312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).