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

C60H44N4 — CID 163498883

IUPAC12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(C6=CC=CC(c7ccc(-c8cccc(-c9ccccc9)c8)cc7)C6)c5)n4)c3c21
InChIInChI=1S/C60H44N4/c1-60(2)53-28-11-9-26-49(53)51-34-35-52-50-27-10-12-29-54(50)64(56(52)55(51)60)59-62-57(42-18-7-4-8-19-42)61-58(63-59)48-25-15-24-47(38-48)46-23-14-22-45(37-46)41-32-30-40(31-33-41)44-21-13-20-43(36-44)39-16-5-3-6-17-39/h3-36,38,45H,37H2,1-2H3
InChIKeyCTAJDTWROAOLNI-UHFFFAOYSA-N
MW821.04 g/mol
LogP15.07
Rot. Bonds7

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

12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole (PubChem CID 163498883) has the molecular formula C60H44N4 and a molecular weight of 821.04 g/mol. Its IUPAC name is 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
PubChem CID163498883
Molecular FormulaC60H44N4
Molecular Weight821.04 g/mol
Exact Mass820.36
IUPAC Name12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(C6=CC=CC(c7ccc(-c8cccc(-c9ccccc9)c8)cc7)C6)c5)n4)c3c21
InChIInChI=1S/C60H44N4/c1-60(2)53-28-11-9-26-49(53)51-34-35-52-50-27-10-12-29-54(50)64(56(52)55(51)60)59-62-57(42-18-7-4-8-19-42)61-58(63-59)48-25-15-24-47(38-48)46-23-14-22-45(37-46)41-32-30-40(31-33-41)44-21-13-20-43(36-44)39-16-5-3-6-17-39/h3-36,38,45H,37H2,1-2H3
InChIKeyCTAJDTWROAOLNI-UHFFFAOYSA-N
XLogP15.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.04
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole with MolForge

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Related Compounds

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
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158828400
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene
CID 135274257
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole
CID 165067702
9-[4-carbazol-9-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742539
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene
CID 135273811
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
12-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165638
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
11-[3-[2,6-bis[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[2,4-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[4,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 160929846
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole (CID 163498883) is 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(C6=CC=CC(c7ccc(-c8cccc(-c9ccccc9)c8)cc7)C6)c5)n4)c3c21.
What is the InChIKey of 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole?
The InChIKey is CTAJDTWROAOLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N4/c1-60(2)53-28-11-9-26-49(53)51-34-35-52-50-27-10-12-29-54(50)64(56(52)55(51)60)59-62-57(42-18-7-4-8-19-42)61-58(63-59)48-25-15-24-47(38-48)46-23-14-22-45(37-46)41-32-30-40(31-33-41)44-21-13-20-43(36-44)39-16-5-3-6-17-39/h3-36,38,45H,37H2,1-2H3.
What are the key properties of 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole?
12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole has a molecular weight of 821.04 g/mol, XLogP of 15.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole is sourced from PubChem (CID 163498883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).