2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole

C48H36N4 — CID 123831442

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)C2=Cc3c(c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n3-c3ccc(-c4ccccc4)cc3)CC2c2ccccc21
InChIInChI=1S/C48H36N4/c1-48(2)41-21-13-12-20-37(41)38-29-40-39-28-35(47-50-45(33-16-8-4-9-17-33)49-46(51-47)34-18-10-5-11-19-34)24-27-43(39)52(44(40)30-42(38)48)36-25-22-32(23-26-36)31-14-6-3-7-15-31/h3-28,30,38H,29H2,1-2H3
InChIKeyAWMFUTAFFZSWBF-UHFFFAOYSA-N
MW668.84 g/mol
LogP11.50
Rot. Bonds5

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole (PubChem CID 123831442) has the molecular formula C48H36N4 and a molecular weight of 668.84 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole
PubChem CID123831442
Molecular FormulaC48H36N4
Molecular Weight668.84 g/mol
Exact Mass668.29
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)C2=Cc3c(c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n3-c3ccc(-c4ccccc4)cc3)CC2c2ccccc21
InChIInChI=1S/C48H36N4/c1-48(2)41-21-13-12-20-37(41)38-29-40-39-28-35(47-50-45(33-16-8-4-9-17-33)49-46(51-47)34-18-10-5-11-19-34)24-27-43(39)52(44(40)30-42(38)48)36-25-22-32(23-26-36)31-14-6-3-7-15-31/h3-28,30,38H,29H2,1-2H3
InChIKeyAWMFUTAFFZSWBF-UHFFFAOYSA-N
XLogP11.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole
CID 170031644
7,7-dimethyl-5-phenyl-11b,12-dihydroindeno[2,1-b]carbazole
CID 67950482
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90308422
6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087253
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 118652913
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-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 135303497
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole (CID 123831442) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole is CC1(C)C2=Cc3c(c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4n3-c3ccc(-c4ccccc4)cc3)CC2c2ccccc21.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole?
The InChIKey is AWMFUTAFFZSWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4/c1-48(2)41-21-13-12-20-37(41)38-29-40-39-28-35(47-50-45(33-16-8-4-9-17-33)49-46(51-47)34-18-10-5-11-19-34)24-27-43(39)52(44(40)30-42(38)48)36-25-22-32(23-26-36)31-14-6-3-7-15-31/h3-28,30,38H,29H2,1-2H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole has a molecular weight of 668.84 g/mol, XLogP of 11.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 123831442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).