2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine

C45H31N3 — CID 138646355

IUPAC2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESCC1(C)c2cccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c2-c2ccc3c(c21)-c1ccccc1C3
InChIInChI=1S/C45H31N3/c1-45(2)38-23-11-22-37(40(38)36-25-24-30-26-29-14-5-8-19-33(29)39(30)41(36)45)44-47-42(34-20-9-15-27-12-3-6-17-31(27)34)46-43(48-44)35-21-10-16-28-13-4-7-18-32(28)35/h3-25H,26H2,1-2H3
InChIKeyMMZIJBIDUVEIGE-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.06
Rot. Bonds3

About 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine

2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine (PubChem CID 138646355) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
PubChem CID138646355
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESCC1(C)c2cccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c2-c2ccc3c(c21)-c1ccccc1C3
InChIInChI=1S/C45H31N3/c1-45(2)38-23-11-22-37(40(38)36-25-24-30-26-29-14-5-8-19-33(29)39(30)41(36)45)44-47-42(34-20-9-15-27-12-3-6-17-31(27)34)46-43(48-44)35-21-10-16-28-13-4-7-18-32(28)35/h3-25H,26H2,1-2H3
InChIKeyMMZIJBIDUVEIGE-UHFFFAOYSA-N
XLogP11.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine
CID 134218170
13,13-dimethyl-5,8-dihydroindeno[1,2-a]acridine
CID 162108853
2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
CID 168776769
2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 134218172
2,12,12-trimethyl-7H-indeno[1,2-a]fluorene
CID 142054010
2-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 118427232
2-(11,11-dimethylbenzo[b]fluoren-4-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 176794950
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 176794525
4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168777069
2-[3-(15,15-dimethyl-5-pentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaenyl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 166995663
2-(14,14-dimethyl-9-methylidene-7-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 134218057
2-[5-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[8-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 160631923

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine (CID 138646355) is 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine is CC1(C)c2cccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c2-c2ccc3c(c21)-c1ccccc1C3.
What is the InChIKey of 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The InChIKey is MMZIJBIDUVEIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-45(2)38-23-11-22-37(40(38)36-25-24-30-26-29-14-5-8-19-33(29)39(30)41(36)45)44-47-42(34-20-9-15-27-12-3-6-17-31(27)34)46-43(48-44)35-21-10-16-28-13-4-7-18-32(28)35/h3-25H,26H2,1-2H3.
What are the key properties of 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine?
2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine has a molecular weight of 613.76 g/mol, XLogP of 11.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-4-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 138646355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).