12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole

C57H50N4 — CID 163493829

IUPAC12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c(c65)C(C)(C)C(C)(C)c5ccccc5-7)c4)n3)cc2C1(C)C
InChIInChI=1S/C57H50N4/c1-54(2)45-26-15-12-23-39(45)41-30-29-37(34-47(41)56(54,5)6)53-59-51(35-19-10-9-11-20-35)58-52(60-53)36-21-18-22-38(33-36)61-48-28-17-14-25-42(48)44-32-31-43-40-24-13-16-27-46(40)55(3,4)57(7,8)49(43)50(44)61/h9-34H,1-8H3
InChIKeyVKRVZIWEUOZRSY-UHFFFAOYSA-N
MW791.06 g/mol
LogP14.44
Rot. Bonds4

About 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole

12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole (PubChem CID 163493829) has the molecular formula C57H50N4 and a molecular weight of 791.06 g/mol. Its IUPAC name is 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole.

Molecular Properties

Compound Name12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole
PubChem CID163493829
Molecular FormulaC57H50N4
Molecular Weight791.06 g/mol
Exact Mass790.40
IUPAC Name12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c(c65)C(C)(C)C(C)(C)c5ccccc5-7)c4)n3)cc2C1(C)C
InChIInChI=1S/C57H50N4/c1-54(2)45-26-15-12-23-39(45)41-30-29-37(34-47(41)56(54,5)6)53-59-51(35-19-10-9-11-20-35)58-52(60-53)36-21-18-22-38(33-36)61-48-28-17-14-25-42(48)44-32-31-43-40-24-13-16-27-46(40)55(3,4)57(7,8)49(43)50(44)61/h9-34H,1-8H3
InChIKeyVKRVZIWEUOZRSY-UHFFFAOYSA-N
XLogP14.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.06
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole with MolForge

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Related Compounds

9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170259795
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
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,15(23),17,19,21,24-undecaene
CID 163452696
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-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126630778
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole
CID 170259796
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
12,12-dimethyl-11-[3-(4,5,6-trimethylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole
CID 139516699
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
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 158116203

Frequently Asked Questions

What is the IUPAC name of 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole?
The IUPAC name of 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole (CID 163493829) is 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole.
What is the SMILES notation for 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole?
The canonical SMILES for 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c(c65)C(C)(C)C(C)(C)c5ccccc5-7)c4)n3)cc2C1(C)C.
What is the InChIKey of 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole?
The InChIKey is VKRVZIWEUOZRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50N4/c1-54(2)45-26-15-12-23-39(45)41-30-29-37(34-47(41)56(54,5)6)53-59-51(35-19-10-9-11-20-35)58-52(60-53)36-21-18-22-38(33-36)61-48-28-17-14-25-42(48)44-32-31-43-40-24-13-16-27-46(40)55(3,4)57(7,8)49(43)50(44)61/h9-34H,1-8H3.
What are the key properties of 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole?
12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole has a molecular weight of 791.06 g/mol, XLogP of 14.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole is sourced from PubChem (CID 163493829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).