11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole

C58H44N4 — CID 144954008

IUPAC11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole
SMILESc1ccc(-c2ccc3c4ccc5c(c4n(-c4cccc(C6NC(c7ccccc7)NC(c7ccccc7)N6)c4)c3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-5)cc1
InChIInChI=1S/C58H44N4/c1-6-19-39(20-7-1)42-33-34-48-50-36-35-49-47-31-16-17-32-51(47)58(44-26-12-4-13-27-44,45-28-14-5-15-29-45)53(49)54(50)62(52(48)38-42)46-30-18-25-43(37-46)57-60-55(40-21-8-2-9-22-40)59-56(61-57)41-23-10-3-11-24-41/h1-38,55-57,59-61H
InChIKeyTXQIRAGGCWHJCU-UHFFFAOYSA-N
MW797.02 g/mol
LogP12.99
Rot. Bonds7

About 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole

11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole (PubChem CID 144954008) has the molecular formula C58H44N4 and a molecular weight of 797.02 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole
PubChem CID144954008
Molecular FormulaC58H44N4
Molecular Weight797.02 g/mol
Exact Mass796.36
IUPAC Name11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole
SMILESc1ccc(-c2ccc3c4ccc5c(c4n(-c4cccc(C6NC(c7ccccc7)NC(c7ccccc7)N6)c4)c3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-5)cc1
InChIInChI=1S/C58H44N4/c1-6-19-39(20-7-1)42-33-34-48-50-36-35-49-47-31-16-17-32-51(47)58(44-26-12-4-13-27-44,45-28-14-5-15-29-45)53(49)54(50)62(52(48)38-42)46-30-18-25-43(37-46)57-60-55(40-21-8-2-9-22-40)59-56(61-57)41-23-10-3-11-24-41/h1-38,55-57,59-61H
InChIKeyTXQIRAGGCWHJCU-UHFFFAOYSA-N
XLogP12.99
TPSA41.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.02
LogP ≤ 512.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole with MolForge

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Related Compounds

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
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]-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 161266285
8',11'-bis(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331815
2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole
CID 90216135
11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331859
2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263734
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
12-[3-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]phenyl]-15,15-dimethyl-12-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 129070898
12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole
CID 126580433
5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166588030
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole?
The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole (CID 144954008) is 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole?
The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole is c1ccc(-c2ccc3c4ccc5c(c4n(-c4cccc(C6NC(c7ccccc7)NC(c7ccccc7)N6)c4)c3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-5)cc1.
What is the InChIKey of 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole?
The InChIKey is TXQIRAGGCWHJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N4/c1-6-19-39(20-7-1)42-33-34-48-50-36-35-49-47-31-16-17-32-51(47)58(44-26-12-4-13-27-44,45-28-14-5-15-29-45)53(49)54(50)62(52(48)38-42)46-30-18-25-43(37-46)57-60-55(40-21-8-2-9-22-40)59-56(61-57)41-23-10-3-11-24-41/h1-38,55-57,59-61H.
What are the key properties of 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole?
11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole has a molecular weight of 797.02 g/mol, XLogP of 12.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole is sourced from PubChem (CID 144954008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).