11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

C51H34N4O — CID 167233530

IUPAC11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4c5oc6c(-c7ccccc7)cccc6c5ccc43)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H34N4O/c1-4-15-33(16-5-1)34-27-29-37(30-28-34)50-52-49(36-19-8-3-9-20-36)53-51(54-50)42-22-11-13-26-44(42)55-43-25-12-10-21-41(43)46-45(55)32-31-40-39-24-14-23-38(47(39)56-48(40)46)35-17-6-2-7-18-35/h1-32,51H,(H,52,53,54)
InChIKeyYVGCSSNFEBJZDT-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.51
Rot. Bonds6

About 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 167233530) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID167233530
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4c5oc6c(-c7ccccc7)cccc6c5ccc43)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H34N4O/c1-4-15-33(16-5-1)34-27-29-37(30-28-34)50-52-49(36-19-8-3-9-20-36)53-51(54-50)42-22-11-13-26-44(42)55-43-25-12-10-21-41(43)46-45(55)32-31-40-39-24-14-23-38(47(39)56-48(40)46)35-17-6-2-7-18-35/h1-32,51H,(H,52,53,54)
InChIKeyYVGCSSNFEBJZDT-UHFFFAOYSA-N
XLogP12.51
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]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

4-phenyl-12-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 167233528
2-dibenzofuran-1-yl-9-[2-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 170130380
14-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 174277095
3,6-diphenyl-9-[2-(2-phenyl-6-triphenylen-2-yl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 170067682
9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 163568836
3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole
CID 146664773
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-phenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167143613
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole
CID 146541321

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 167233530) is 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4c5oc6c(-c7ccccc7)cccc6c5ccc43)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is YVGCSSNFEBJZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-4-15-33(16-5-1)34-27-29-37(30-28-34)50-52-49(36-19-8-3-9-20-36)53-51(54-50)42-22-11-13-26-44(42)55-43-25-12-10-21-41(43)46-45(55)32-31-40-39-24-14-23-38(47(39)56-48(40)46)35-17-6-2-7-18-35/h1-32,51H,(H,52,53,54).
What are the key properties of 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 718.86 g/mol, XLogP of 12.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 167233530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).