5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole

C37H28N4 — CID 170201877

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole
SMILESCc1cccc2c1C(C)(C)c1cc3c(cc1-2)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C37H28N4/c1-23-13-12-19-27-28-21-29-26-18-10-11-20-31(26)41(32(29)22-30(28)37(2,3)33(23)27)36-39-34(24-14-6-4-7-15-24)38-35(40-36)25-16-8-5-9-17-25/h4-22H,1-3H3
InChIKeyOMBVAAPGQDNVER-UHFFFAOYSA-N
MW528.66 g/mol
LogP8.92
Rot. Bonds3

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole (PubChem CID 170201877) has the molecular formula C37H28N4 and a molecular weight of 528.66 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole
PubChem CID170201877
Molecular FormulaC37H28N4
Molecular Weight528.66 g/mol
Exact Mass528.23
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole
SMILESCc1cccc2c1C(C)(C)c1cc3c(cc1-2)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C37H28N4/c1-23-13-12-19-27-28-21-29-26-18-10-11-20-31(26)41(32(29)22-30(28)37(2,3)33(23)27)36-39-34(24-14-6-4-7-15-24)38-35(40-36)25-16-8-5-9-17-25/h4-22H,1-3H3
InChIKeyOMBVAAPGQDNVER-UHFFFAOYSA-N
XLogP8.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 66797829
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158543724
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-32,32-dimethyl-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23,25,27,29-pentadecaene
CID 122470346

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole (CID 170201877) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole is Cc1cccc2c1C(C)(C)c1cc3c(cc1-2)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole?
The InChIKey is OMBVAAPGQDNVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N4/c1-23-13-12-19-27-28-21-29-26-18-10-11-20-31(26)41(32(29)22-30(28)37(2,3)33(23)27)36-39-34(24-14-6-4-7-15-24)38-35(40-36)25-16-8-5-9-17-25/h4-22H,1-3H3.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole has a molecular weight of 528.66 g/mol, XLogP of 8.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8-trimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 170201877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).