9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole

C40H32N6 — CID 118584682

IUPAC9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole
SMILESCC12C=CC=CC1c1ccccc1N2C1=NC(n2c3ccccc3c3ccccc32)NC(n2c3ccccc3c3ccccc32)N1
InChIInChI=1S/C40H32N6/c1-40-25-13-12-19-31(40)30-18-6-11-24-36(30)46(40)39-42-37(44-32-20-7-2-14-26(32)27-15-3-8-21-33(27)44)41-38(43-39)45-34-22-9-4-16-28(34)29-17-5-10-23-35(29)45/h2-25,31,37-38,41H,1H3,(H,42,43)
InChIKeyZGRFKFBAROGERZ-UHFFFAOYSA-N
MW596.74 g/mol
LogP8.55
Rot. Bonds2

About 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole

9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole (PubChem CID 118584682) has the molecular formula C40H32N6 and a molecular weight of 596.74 g/mol. Its IUPAC name is 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole
PubChem CID118584682
Molecular FormulaC40H32N6
Molecular Weight596.74 g/mol
Exact Mass596.27
IUPAC Name9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole
SMILESCC12C=CC=CC1c1ccccc1N2C1=NC(n2c3ccccc3c3ccccc32)NC(n2c3ccccc3c3ccccc32)N1
InChIInChI=1S/C40H32N6/c1-40-25-13-12-19-31(40)30-18-6-11-24-36(30)46(40)39-42-37(44-32-20-7-2-14-26(32)27-15-3-8-21-33(27)44)41-38(43-39)45-34-22-9-4-16-28(34)29-17-5-10-23-35(29)45/h2-25,31,37-38,41H,1H3,(H,42,43)
InChIKeyZGRFKFBAROGERZ-UHFFFAOYSA-N
XLogP8.55
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.74
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 156533533
3-(9a-methyl-4aH-carbazol-9-yl)-2,5,6-tri(carbazol-9-yl)benzonitrile
CID 146520505
9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 67374079
3-[4-(9a-methyl-4aH-carbazol-9-yl)phenyl]-4-(2-carbazol-9-yl-4-cyanophenyl)benzonitrile
CID 155085660
8a-methyl-9-phenyl-4bH-carbazol-2-amine
CID 146321211
12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163666254
5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-11a-methyl-12-(9-phenylcarbazol-3-yl)-7bH-indolo[3,2-c]carbazole
CID 70912403
6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole
CID 147834025
3-carbazol-9-yl-6-[4-[2-(6-cyano-9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 155086208
19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
CID 163777928
3-[9-[3-[3-[5-[3-[8a-methyl-9-(2-phenylphenyl)-4bH-carbazol-3-yl]carbazol-9-yl]naphthalen-1-yl]phenyl]phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 163664569

Frequently Asked Questions

What is the IUPAC name of 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole?
The IUPAC name of 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole (CID 118584682) is 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole.
What is the SMILES notation for 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole?
The canonical SMILES for 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole is CC12C=CC=CC1c1ccccc1N2C1=NC(n2c3ccccc3c3ccccc32)NC(n2c3ccccc3c3ccccc32)N1.
What is the InChIKey of 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole?
The InChIKey is ZGRFKFBAROGERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N6/c1-40-25-13-12-19-31(40)30-18-6-11-24-36(30)46(40)39-42-37(44-32-20-7-2-14-26(32)27-15-3-8-21-33(27)44)41-38(43-39)45-34-22-9-4-16-28(34)29-17-5-10-23-35(29)45/h2-25,31,37-38,41H,1H3,(H,42,43).
What are the key properties of 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole?
9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole has a molecular weight of 596.74 g/mol, XLogP of 8.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole is sourced from PubChem (CID 118584682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).