3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole

C50H35N5 — CID 163844254

IUPAC3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole
SMILESCC1C=Cc2c(c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc8ccccc8c7)c6)n5)c4c3n2-c2ccccc2)C1
InChIInChI=1S/C50H35N5/c1-32-23-28-45-43(29-32)42-27-26-41-40-21-10-11-22-44(40)55(47(41)46(42)54(45)39-19-6-3-7-20-39)50-52-48(34-14-4-2-5-15-34)51-49(53-50)38-18-12-17-36(31-38)37-25-24-33-13-8-9-16-35(33)30-37/h2-28,30-32H,29H2,1H3
InChIKeyOOSOZEQPXXPPSM-UHFFFAOYSA-N
MW705.87 g/mol
LogP12.27
Rot. Bonds5

About 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole

3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole (PubChem CID 163844254) has the molecular formula C50H35N5 and a molecular weight of 705.87 g/mol. Its IUPAC name is 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole
PubChem CID163844254
Molecular FormulaC50H35N5
Molecular Weight705.87 g/mol
Exact Mass705.29
IUPAC Name3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole
SMILESCC1C=Cc2c(c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc8ccccc8c7)c6)n5)c4c3n2-c2ccccc2)C1
InChIInChI=1S/C50H35N5/c1-32-23-28-45-43(29-32)42-27-26-41-40-21-10-11-22-44(40)55(47(41)46(42)54(45)39-19-6-3-7-20-39)50-52-48(34-14-4-2-5-15-34)51-49(53-50)38-18-12-17-36(31-38)37-25-24-33-13-8-9-16-35(33)30-37/h2-28,30-32H,29H2,1H3
InChIKeyOOSOZEQPXXPPSM-UHFFFAOYSA-N
XLogP12.27
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.87
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891
2-[3-[4-naphthalen-2-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 137401845
12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 59365869
12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole
CID 167193980
12-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 58556525
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799955
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163834153
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole (CID 163844254) is 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole is CC1C=Cc2c(c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc8ccccc8c7)c6)n5)c4c3n2-c2ccccc2)C1.
What is the InChIKey of 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole?
The InChIKey is OOSOZEQPXXPPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N5/c1-32-23-28-45-43(29-32)42-27-26-41-40-21-10-11-22-44(40)55(47(41)46(42)54(45)39-19-6-3-7-20-39)50-52-48(34-14-4-2-5-15-34)51-49(53-50)38-18-12-17-36(31-38)37-25-24-33-13-8-9-16-35(33)30-37/h2-28,30-32H,29H2,1H3.
What are the key properties of 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole?
3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole has a molecular weight of 705.87 g/mol, XLogP of 12.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 163844254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).