9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole

C43H28N4O — CID 167032691

IUPAC9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4c(oc5cc6ccccc6cc54)c3-n3c4ccccc4c4ccccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C43H28N4O/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)34-24-23-33-35-25-29-17-7-8-18-30(29)26-38(35)48-40(33)39(34)47-36-21-11-9-19-31(36)32-20-10-12-22-37(32)47/h1-26,41H,(H,44,45,46)
InChIKeyRUIBKDNNDSKUQV-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.33
Rot. Bonds4

About 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole

9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole (PubChem CID 167032691) has the molecular formula C43H28N4O and a molecular weight of 616.72 g/mol. Its IUPAC name is 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole
PubChem CID167032691
Molecular FormulaC43H28N4O
Molecular Weight616.72 g/mol
Exact Mass616.23
IUPAC Name9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4c(oc5cc6ccccc6cc54)c3-n3c4ccccc4c4ccccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C43H28N4O/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)34-24-23-33-35-25-29-17-7-8-18-30(29)26-38(35)48-40(33)39(34)47-36-21-11-9-19-31(36)32-20-10-12-22-37(32)47/h1-26,41H,(H,44,45,46)
InChIKeyRUIBKDNNDSKUQV-UHFFFAOYSA-N
XLogP10.33
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 510.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699432
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156553975
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-8-yl]carbazole
CID 146664755
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
CID 167347968
5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 166700359
5-[3-(6-naphthalen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 155037880
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155474715
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole?
The IUPAC name of 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole (CID 167032691) is 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole?
The canonical SMILES for 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole is c1ccc(C2=NC(c3ccc4c(oc5cc6ccccc6cc54)c3-n3c4ccccc4c4ccccc43)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole?
The InChIKey is RUIBKDNNDSKUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4O/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)34-24-23-33-35-25-29-17-7-8-18-30(29)26-38(35)48-40(33)39(34)47-36-21-11-9-19-31(36)32-20-10-12-22-37(32)47/h1-26,41H,(H,44,45,46).
What are the key properties of 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole?
9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole has a molecular weight of 616.72 g/mol, XLogP of 10.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole is sourced from PubChem (CID 167032691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).