11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole

C54H42N4O — CID 166988460

IUPAC11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(c1)oc1cccc(C3=NC(c4ccccc4)NC(C4=CCC(c5ccccc5)C=C4)N3)c12
InChIInChI=1S/C54H42N4O/c1-54(2)44-21-11-9-18-38(44)42-32-47-43(31-45(42)54)39-19-10-12-22-46(39)58(47)37-28-29-40-49(30-37)59-48-23-13-20-41(50(40)48)53-56-51(35-16-7-4-8-17-35)55-52(57-53)36-26-24-34(25-27-36)33-14-5-3-6-15-33/h3-24,26-32,34,51-52,55H,25H2,1-2H3,(H,56,57)
InChIKeyMTZITIJNGPJHTF-UHFFFAOYSA-N
MW762.96 g/mol
LogP12.62
Rot. Bonds5

About 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole

11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole (PubChem CID 166988460) has the molecular formula C54H42N4O and a molecular weight of 762.96 g/mol. Its IUPAC name is 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
PubChem CID166988460
Molecular FormulaC54H42N4O
Molecular Weight762.96 g/mol
Exact Mass762.34
IUPAC Name11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(c1)oc1cccc(C3=NC(c4ccccc4)NC(C4=CCC(c5ccccc5)C=C4)N3)c12
InChIInChI=1S/C54H42N4O/c1-54(2)44-21-11-9-18-38(44)42-32-47-43(31-45(42)54)39-19-10-12-22-46(39)58(47)37-28-29-40-49(30-37)59-48-23-13-20-41(50(40)48)53-56-51(35-16-7-4-8-17-35)55-52(57-53)36-26-24-34(25-27-36)33-14-5-3-6-15-33/h3-24,26-32,34,51-52,55H,25H2,1-2H3,(H,56,57)
InChIKeyMTZITIJNGPJHTF-UHFFFAOYSA-N
XLogP12.62
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 512.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole with MolForge

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Related Compounds

5-[9-[2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 170282863
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166588030
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-[9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166914549
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 146337857
9-[9-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)dibenzofuran-3-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 166859966
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
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
7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
CID 134351434

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole (CID 166988460) is 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(c1)oc1cccc(C3=NC(c4ccccc4)NC(C4=CCC(c5ccccc5)C=C4)N3)c12.
What is the InChIKey of 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole?
The InChIKey is MTZITIJNGPJHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4O/c1-54(2)44-21-11-9-18-38(44)42-32-47-43(31-45(42)54)39-19-10-12-22-46(39)58(47)37-28-29-40-49(30-37)59-48-23-13-20-41(50(40)48)53-56-51(35-16-7-4-8-17-35)55-52(57-53)36-26-24-34(25-27-36)33-14-5-3-6-15-33/h3-24,26-32,34,51-52,55H,25H2,1-2H3,(H,56,57).
What are the key properties of 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole?
11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole has a molecular weight of 762.96 g/mol, XLogP of 12.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-[9-[4-phenyl-2-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole is sourced from PubChem (CID 166988460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).