2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C53H45N5 — CID 142315031

IUPAC2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1c(ccc3c4cc(C(C)(C)C)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c31)n2-c1ccccc1
InChIInChI=1S/C53H45N5/c1-52(2,3)38-26-29-44-42(32-38)41-28-31-46-47(43-33-39(53(4,5)6)27-30-45(43)57(46)40-20-14-9-15-21-40)48(41)58(44)51-55-49(36-18-12-8-13-19-36)54-50(56-51)37-24-22-35(23-25-37)34-16-10-7-11-17-34/h7-33H,1-6H3
InChIKeyLTNIQSLHEAEIJE-UHFFFAOYSA-N
MW751.98 g/mol
LogP13.66
Rot. Bonds5

About 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 142315031) has the molecular formula C53H45N5 and a molecular weight of 751.98 g/mol. Its IUPAC name is 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
PubChem CID142315031
Molecular FormulaC53H45N5
Molecular Weight751.98 g/mol
Exact Mass751.37
IUPAC Name2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1c(ccc3c4cc(C(C)(C)C)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c31)n2-c1ccccc1
InChIInChI=1S/C53H45N5/c1-52(2,3)38-26-29-44-42(32-38)41-28-31-46-47(43-33-39(53(4,5)6)27-30-45(43)57(46)40-20-14-9-15-21-40)48(41)58(44)51-55-49(36-18-12-8-13-19-36)54-50(56-51)37-24-22-35(23-25-37)34-16-10-7-11-17-34/h7-33H,1-6H3
InChIKeyLTNIQSLHEAEIJE-UHFFFAOYSA-N
XLogP13.66
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.98
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,9-ditert-butyl-5-phenyl-12-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 160739402
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799957
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-dimethyl-5-phenylindolo[3,2-c]carbazole
CID 142315008
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 165033294
10,20-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,24-triphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 118473598
2,9-dibutyl-12-phenyl-5-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-dibutyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 159409871
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 158439679
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 170268481
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159270827
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412

Frequently Asked Questions

What is the IUPAC name of 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 142315031) is 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is CC(C)(C)c1ccc2c(c1)c1c(ccc3c4cc(C(C)(C)C)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c31)n2-c1ccccc1.
What is the InChIKey of 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is LTNIQSLHEAEIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N5/c1-52(2,3)38-26-29-44-42(32-38)41-28-31-46-47(43-33-39(53(4,5)6)27-30-45(43)57(46)40-20-14-9-15-21-40)48(41)58(44)51-55-49(36-18-12-8-13-19-36)54-50(56-51)37-24-22-35(23-25-37)34-16-10-7-11-17-34/h7-33H,1-6H3.
What are the key properties of 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 751.98 g/mol, XLogP of 13.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 142315031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).