8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

C52H37N5 — CID 163429067

IUPAC8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc21
InChIInChI=1S/C52H37N5/c1-52(2)42-27-14-15-28-44(42)56(38-22-10-5-11-23-38)45-31-30-37(33-43(45)52)40-25-16-26-41-47-39-24-13-12-17-34(39)29-32-46(47)57(48(40)41)51-54-49(35-18-6-3-7-19-35)53-50(55-51)36-20-8-4-9-21-36/h3-33H,1-2H3
InChIKeyAOXTWSKPQFLGJH-UHFFFAOYSA-N
MW731.90 g/mol
LogP13.23
Rot. Bonds5

About 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (PubChem CID 163429067) has the molecular formula C52H37N5 and a molecular weight of 731.90 g/mol. Its IUPAC name is 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
PubChem CID163429067
Molecular FormulaC52H37N5
Molecular Weight731.90 g/mol
Exact Mass731.30
IUPAC Name8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc21
InChIInChI=1S/C52H37N5/c1-52(2)42-27-14-15-28-44(42)56(38-22-10-5-11-23-38)45-31-30-37(33-43(45)52)40-25-16-26-41-47-39-24-13-12-17-34(39)29-32-46(47)57(48(40)41)51-54-49(35-18-6-3-7-19-35)53-50(55-51)36-20-8-4-9-21-36/h3-33H,1-2H3
InChIKeyAOXTWSKPQFLGJH-UHFFFAOYSA-N
XLogP13.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 134431940
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 134431640
10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
CID 131998839
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 142571634
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The IUPAC name of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (CID 163429067) is 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The canonical SMILES for 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc21.
What is the InChIKey of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The InChIKey is AOXTWSKPQFLGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5/c1-52(2)42-27-14-15-28-44(42)56(38-22-10-5-11-23-38)45-31-30-37(33-43(45)52)40-25-16-26-41-47-39-24-13-12-17-34(39)29-32-46(47)57(48(40)41)51-54-49(35-18-6-3-7-19-35)53-50(55-51)36-20-8-4-9-21-36/h3-33H,1-2H3.
What are the key properties of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole has a molecular weight of 731.90 g/mol, XLogP of 13.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 163429067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).