7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole

C49H36N4O — CID 146337596

IUPAC7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
SMILESCC1CC=CC=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4c(-n5c6ccccc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cccc4c23)n1
InChIInChI=1S/C49H36N4O/c1-29-15-7-8-18-31(29)47-50-46(30-16-5-4-6-17-30)51-48(52-47)35-22-14-26-43-44(35)34-21-13-25-41(45(34)54-43)53-40-24-12-10-20-33(40)37-27-36-32-19-9-11-23-38(32)49(2,3)39(36)28-42(37)53/h4-14,16-29H,15H2,1-3H3
InChIKeyFHDUUXAMALGEOR-UHFFFAOYSA-N
MW696.85 g/mol
LogP12.49
Rot. Bonds4

About 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole (PubChem CID 146337596) has the molecular formula C49H36N4O and a molecular weight of 696.85 g/mol. Its IUPAC name is 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
PubChem CID146337596
Molecular FormulaC49H36N4O
Molecular Weight696.85 g/mol
Exact Mass696.29
IUPAC Name7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
SMILESCC1CC=CC=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4c(-n5c6ccccc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cccc4c23)n1
InChIInChI=1S/C49H36N4O/c1-29-15-7-8-18-31(29)47-50-46(30-16-5-4-6-17-30)51-48(52-47)35-22-14-26-43-44(35)34-21-13-25-41(45(34)54-43)53-40-24-12-10-20-33(40)37-27-36-32-19-9-11-23-38(32)49(2,3)39(36)28-42(37)53/h4-14,16-29H,15H2,1-3H3
InChIKeyFHDUUXAMALGEOR-UHFFFAOYSA-N
XLogP12.49
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole with MolForge

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Related Compounds

7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165076311
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146334221
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 161474330
12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 146761337
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 170127951
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155159726
5-[19-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146258962
5-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145017206

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole (CID 146337596) is 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole is CC1CC=CC=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4c(-n5c6ccccc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cccc4c23)n1.
What is the InChIKey of 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
The InChIKey is FHDUUXAMALGEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N4O/c1-29-15-7-8-18-31(29)47-50-46(30-16-5-4-6-17-30)51-48(52-47)35-22-14-26-43-44(35)34-21-13-25-41(45(34)54-43)53-40-24-12-10-20-33(40)37-27-36-32-19-9-11-23-38(32)49(2,3)39(36)28-42(37)53/h4-14,16-29H,15H2,1-3H3.
What are the key properties of 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole has a molecular weight of 696.85 g/mol, XLogP of 12.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 146337596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).