5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole

C49H34N4O — CID 155158591

IUPAC5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCc1cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C49H34N4O/c1-29-26-41(53-39-24-14-11-21-33(39)36-27-38-35(28-40(36)53)32-20-10-13-23-37(32)49(38,2)3)45-44(34-22-12-15-25-42(34)54-45)43(29)48-51-46(30-16-6-4-7-17-30)50-47(52-48)31-18-8-5-9-19-31/h4-28H,1-3H3
InChIKeyAURCFVGGMHVXMG-UHFFFAOYSA-N
MW694.84 g/mol
LogP12.48
Rot. Bonds4

About 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole

5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 155158591) has the molecular formula C49H34N4O and a molecular weight of 694.84 g/mol. Its IUPAC name is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID155158591
Molecular FormulaC49H34N4O
Molecular Weight694.84 g/mol
Exact Mass694.27
IUPAC Name5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCc1cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C49H34N4O/c1-29-26-41(53-39-24-14-11-21-33(39)36-27-38-35(28-40(36)53)32-20-10-13-23-37(32)49(38,2)3)45-44(34-22-12-15-25-42(34)54-45)43(29)48-51-46(30-16-6-4-7-17-30)50-47(52-48)31-18-8-5-9-19-31/h4-28H,1-3H3
InChIKeyAURCFVGGMHVXMG-UHFFFAOYSA-N
XLogP12.48
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-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 155160141
9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-18-phenylspiro[9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene-27,9'-fluorene]
CID 155159458
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole
CID 155158595
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 155159933
26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene
CID 163596860
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162481731
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 155159192
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)dibenzofuran-1-yl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 155159781
12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 155158590
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole (CID 155158591) is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole is Cc1cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(C)C)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is AURCFVGGMHVXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O/c1-29-26-41(53-39-24-14-11-21-33(39)36-27-38-35(28-40(36)53)32-20-10-13-23-37(32)49(38,2)3)45-44(34-22-12-15-25-42(34)54-45)43(29)48-51-46(30-16-6-4-7-17-30)50-47(52-48)31-18-8-5-9-19-31/h4-28H,1-3H3.
What are the key properties of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 694.84 g/mol, XLogP of 12.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 155158591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).