12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole

C48H33N5 — CID 169014344

IUPAC12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cc3)c21
InChIInChI=1S/C48H33N5/c1-48(2)38-20-10-6-19-37(38)43-39(48)29-28-36-35-18-9-11-21-40(35)52(44(36)43)32-26-24-31(25-27-32)46-49-45(30-14-4-3-5-15-30)50-47(51-46)53-41-22-12-7-16-33(41)34-17-8-13-23-42(34)53/h3-29H,1-2H3
InChIKeyRFMQDUVZFQWPGW-UHFFFAOYSA-N
MW679.83 g/mol
LogP11.71
Rot. Bonds4

About 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole

12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole (PubChem CID 169014344) has the molecular formula C48H33N5 and a molecular weight of 679.83 g/mol. Its IUPAC name is 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
PubChem CID169014344
Molecular FormulaC48H33N5
Molecular Weight679.83 g/mol
Exact Mass679.27
IUPAC Name12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cc3)c21
InChIInChI=1S/C48H33N5/c1-48(2)38-20-10-6-19-37(38)43-39(48)29-28-36-35-18-9-11-21-40(35)52(44(36)43)32-26-24-31(25-27-32)46-49-45(30-14-4-3-5-15-30)50-47(51-46)53-41-22-12-7-16-33(41)34-17-8-13-23-42(34)53/h3-29H,1-2H3
InChIKeyRFMQDUVZFQWPGW-UHFFFAOYSA-N
XLogP11.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.83
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630713
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 118613577
7,7-dimethyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[1,2-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 165042893
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510071
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161090535
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122464806
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The IUPAC name of 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole (CID 169014344) is 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole.
What is the SMILES notation for 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The canonical SMILES for 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cc3)c21.
What is the InChIKey of 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The InChIKey is RFMQDUVZFQWPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5/c1-48(2)38-20-10-6-19-37(38)43-39(48)29-28-36-35-18-9-11-21-40(35)52(44(36)43)32-26-24-31(25-27-32)46-49-45(30-14-4-3-5-15-30)50-47(51-46)53-41-22-12-7-16-33(41)34-17-8-13-23-42(34)53/h3-29H,1-2H3.
What are the key properties of 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole has a molecular weight of 679.83 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole is sourced from PubChem (CID 169014344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).