3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole

C47H37N5 — CID 139569666

IUPAC3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole
SMILESC1=CC(n2c3c(c4ccccc42)CCc2ccccc2-3)Cc2c1c1cc3ccccc3cc1n2C1=NC(c2ccccc2)NC(c2ccccc2)N1
InChIInChI=1S/C47H37N5/c1-3-14-31(15-4-1)45-48-46(32-16-5-2-6-17-32)50-47(49-45)52-42-28-34-19-8-7-18-33(34)27-40(42)38-26-24-35(29-43(38)52)51-41-22-12-11-21-37(41)39-25-23-30-13-9-10-20-36(30)44(39)51/h1-22,24,26-28,35,45-46,48H,23,25,29H2,(H,49,50)
InChIKeyFORHRINLAMAPOO-UHFFFAOYSA-N
MW671.85 g/mol
LogP10.12
Rot. Bonds3

About 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole

3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole (PubChem CID 139569666) has the molecular formula C47H37N5 and a molecular weight of 671.85 g/mol. Its IUPAC name is 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole
PubChem CID139569666
Molecular FormulaC47H37N5
Molecular Weight671.85 g/mol
Exact Mass671.30
IUPAC Name3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole
SMILESC1=CC(n2c3c(c4ccccc42)CCc2ccccc2-3)Cc2c1c1cc3ccccc3cc1n2C1=NC(c2ccccc2)NC(c2ccccc2)N1
InChIInChI=1S/C47H37N5/c1-3-14-31(15-4-1)45-48-46(32-16-5-2-6-17-32)50-47(49-45)52-42-28-34-19-8-7-18-33(34)27-40(42)38-26-24-35(29-43(38)52)51-41-22-12-11-21-37(41)39-25-23-30-13-9-10-20-36(30)44(39)51/h1-22,24,26-28,35,45-46,48H,23,25,29H2,(H,49,50)
InChIKeyFORHRINLAMAPOO-UHFFFAOYSA-N
XLogP10.12
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.85
LogP ≤ 510.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole with MolForge

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Related Compounds

3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-[2-(4-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
CID 163839034
11-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 118398709
5-[3-(2-cyclohexa-1,5-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-2,3-dihydronaphthalen-1-yl]-3-(1,2-dihydrocarbazol-9-yl)-3,4,4a,11,11a,11b-hexahydrobenzo[b]carbazole
CID 139569639
11-phenyl-12-[2-phenyl-4-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]indolo[2,3-a]carbazole
CID 174276849
9-[4-(3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1-phenylcarbazole
CID 163513033
5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-12H-indolo[3,2-c]carbazole
CID 174276983
10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole
CID 130180958
5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 155038168
30-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)cyclohexa-2,4-dien-1-yl]-31-oxa-13,18,30-triazanonacyclo[16.10.1.12,6.13,28.114,17.07,12.019,24.025,29.013,32]dotriaconta-1(28),2,4,6(32),7,9,11,19,21,23,25(29),26-dodecaene
CID 129276661
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163563553
5-[5-[3-[4-(3-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-4,4a-dihydronaphthalen-1-yl]-3,4,4a,11,11a,11b-hexahydrobenzo[b]carbazol-3-yl]benzo[b]carbazole
CID 139570000
9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole
CID 146390190

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole?
The IUPAC name of 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole (CID 139569666) is 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole.
What is the SMILES notation for 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole?
The canonical SMILES for 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole is C1=CC(n2c3c(c4ccccc42)CCc2ccccc2-3)Cc2c1c1cc3ccccc3cc1n2C1=NC(c2ccccc2)NC(c2ccccc2)N1.
What is the InChIKey of 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole?
The InChIKey is FORHRINLAMAPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N5/c1-3-14-31(15-4-1)45-48-46(32-16-5-2-6-17-32)50-47(49-45)52-42-28-34-19-8-7-18-33(34)27-40(42)38-26-24-35(29-43(38)52)51-41-22-12-11-21-37(41)39-25-23-30-13-9-10-20-36(30)44(39)51/h1-22,24,26-28,35,45-46,48H,23,25,29H2,(H,49,50).
What are the key properties of 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole?
3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole has a molecular weight of 671.85 g/mol, XLogP of 10.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydrobenzo[a]carbazol-11-yl)-5-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-3,4-dihydrobenzo[b]carbazole is sourced from PubChem (CID 139569666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).