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

C54H38N4 — CID 163675425

IUPAC12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)c3c21
InChIInChI=1S/C54H38N4/c1-54(2)47-22-11-9-20-43(47)45-32-33-46-44-21-10-12-23-48(44)58(50(46)49(45)54)53-56-51(39-28-24-37(25-29-39)35-14-5-3-6-15-35)55-52(57-53)40-30-26-38(27-31-40)42-19-13-18-41(34-42)36-16-7-4-8-17-36/h3-34H,1-2H3
InChIKeyJGGLDJJADDEKAU-UHFFFAOYSA-N
MW742.93 g/mol
LogP13.61
Rot. Bonds6

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

12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole (PubChem CID 163675425) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
PubChem CID163675425
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)c3c21
InChIInChI=1S/C54H38N4/c1-54(2)47-22-11-9-20-43(47)45-32-33-46-44-21-10-12-23-48(44)58(50(46)49(45)54)53-56-51(39-28-24-37(25-29-39)35-14-5-3-6-15-35)55-52(57-53)40-30-26-38(27-31-40)42-19-13-18-41(34-42)36-16-7-4-8-17-36/h3-34H,1-2H3
InChIKeyJGGLDJJADDEKAU-UHFFFAOYSA-N
XLogP13.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
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
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
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
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 126580395
12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
CID 58142117
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-(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
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122524021

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole?
The IUPAC name of 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) is 12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)c3c21.
What is the InChIKey of 12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole?
The InChIKey is JGGLDJJADDEKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-54(2)47-22-11-9-20-43(47)45-32-33-46-44-21-10-12-23-48(44)58(50(46)49(45)54)53-56-51(39-28-24-37(25-29-39)35-14-5-3-6-15-35)55-52(57-53)40-30-26-38(27-31-40)42-19-13-18-41(34-42)36-16-7-4-8-17-36/h3-34H,1-2H3.
What are the key properties of 12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole?
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole has a molecular weight of 742.93 g/mol, XLogP of 13.61, 6 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-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole is sourced from PubChem (CID 163675425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).