12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole

C54H36N4O — CID 155159700

IUPAC12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c5c4oc4ccccc45)c3c21
InChIInChI=1S/C54H36N4O/c1-54(2)43-25-12-9-22-37(43)39-28-29-40-38-23-10-13-26-44(38)58(49(40)48(39)54)45-31-30-42(47-41-24-11-14-27-46(41)59-50(45)47)53-56-51(34-18-7-4-8-19-34)55-52(57-53)36-21-15-20-35(32-36)33-16-5-3-6-17-33/h3-32H,1-2H3
InChIKeyIINMDLGDEDUHMZ-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

About 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole

12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole (PubChem CID 155159700) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole
PubChem CID155159700
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c5c4oc4ccccc45)c3c21
InChIInChI=1S/C54H36N4O/c1-54(2)43-25-12-9-22-37(43)39-28-29-40-38-23-10-13-26-44(38)58(49(40)48(39)54)45-31-30-42(47-41-24-11-14-27-46(41)59-50(45)47)53-56-51(34-18-7-4-8-19-34)55-52(57-53)36-21-15-20-35(32-36)33-16-5-3-6-17-33/h3-32H,1-2H3
InChIKeyIINMDLGDEDUHMZ-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 155160065
12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 146761337
11-[4-dibenzofuran-1-yl-6-[2-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 163676948
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080056
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(8-phenyldibenzofuran-4-yl)carbazole
CID 170080363
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
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 164847996
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
14,14-dimethyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-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 155158781

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole (CID 155159700) is 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c5c4oc4ccccc45)c3c21.
What is the InChIKey of 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole?
The InChIKey is IINMDLGDEDUHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)43-25-12-9-22-37(43)39-28-29-40-38-23-10-13-26-44(38)58(49(40)48(39)54)45-31-30-42(47-41-24-11-14-27-46(41)59-50(45)47)53-56-51(34-18-7-4-8-19-34)55-52(57-53)36-21-15-20-35(32-36)33-16-5-3-6-17-33/h3-32H,1-2H3.
What are the key properties of 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole?
12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole has a molecular weight of 756.91 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole is sourced from PubChem (CID 155159700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).