3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one

C47H29N7O — CID 171448152

IUPAC3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(-c3ccccc3)c3ccccc3n2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C47H29N7O/c55-45-37-29-33(25-27-40(37)54-42-23-13-12-22-41(42)52(47(54)51-45)34-18-8-3-9-19-34)32-24-26-39-36(28-32)35-20-10-11-21-38(35)53(39)46-49-43(30-14-4-1-5-15-30)48-44(50-46)31-16-6-2-7-17-31/h1-29H
InChIKeyXPLNPDGADNKYJL-UHFFFAOYSA-N
MW707.80 g/mol
LogP10.07
Rot. Bonds5

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one (PubChem CID 171448152) has the molecular formula C47H29N7O and a molecular weight of 707.80 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one
PubChem CID171448152
Molecular FormulaC47H29N7O
Molecular Weight707.80 g/mol
Exact Mass707.24
IUPAC Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(-c3ccccc3)c3ccccc3n2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C47H29N7O/c55-45-37-29-33(25-27-40(37)54-42-23-13-12-22-41(42)52(47(54)51-45)34-18-8-3-9-19-34)32-24-26-39-36(28-32)35-20-10-11-21-38(35)53(39)46-49-43(30-14-4-1-5-15-30)48-44(50-46)31-16-6-2-7-17-31/h1-29H
InChIKeyXPLNPDGADNKYJL-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

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 171448039
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
7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 171448271
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
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
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
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 163720312
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
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-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one?
The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one (CID 171448152) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one is O=c1nc2n(-c3ccccc3)c3ccccc3n2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12.
What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one?
The InChIKey is XPLNPDGADNKYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N7O/c55-45-37-29-33(25-27-40(37)54-42-23-13-12-22-41(42)52(47(54)51-45)34-18-8-3-9-19-34)32-24-26-39-36(28-32)35-20-10-11-21-38(35)53(39)46-49-43(30-14-4-1-5-15-30)48-44(50-46)31-16-6-2-7-17-31/h1-29H.
What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one?
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[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 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 171448152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).