7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine

C48H33N5O — CID 166801783

IUPAC7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
SMILESC1=Cc2oc3cc(-n4c5ccccc5c5ccccc54)ccc3c2C(C2=NC(c3ccc(-c4ccc5ccccc5c4)cc3)N=C(c3ccccc3)N2)N1
InChIInChI=1S/C48H33N5O/c1-2-11-32(12-3-1)46-50-47(33-21-18-31(19-22-33)35-23-20-30-10-4-5-13-34(30)28-35)52-48(51-46)45-44-39-25-24-36(29-43(39)54-42(44)26-27-49-45)53-40-16-8-6-14-37(40)38-15-7-9-17-41(38)53/h1-29,45,47,49H,(H,50,51,52)
InChIKeyJUKKCFKJAJQKCG-UHFFFAOYSA-N
MW695.83 g/mol
LogP11.11
Rot. Bonds5

About 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine

7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine (PubChem CID 166801783) has the molecular formula C48H33N5O and a molecular weight of 695.83 g/mol. Its IUPAC name is 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
PubChem CID166801783
Molecular FormulaC48H33N5O
Molecular Weight695.83 g/mol
Exact Mass695.27
IUPAC Name7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
SMILESC1=Cc2oc3cc(-n4c5ccccc5c5ccccc54)ccc3c2C(C2=NC(c3ccc(-c4ccc5ccccc5c4)cc3)N=C(c3ccccc3)N2)N1
InChIInChI=1S/C48H33N5O/c1-2-11-32(12-3-1)46-50-47(33-21-18-31(19-22-33)35-23-20-30-10-4-5-13-34(30)28-35)52-48(51-46)45-44-39-25-24-36(29-43(39)54-42(44)26-27-49-45)53-40-16-8-6-14-37(40)38-15-7-9-17-41(38)53/h1-29,45,47,49H,(H,50,51,52)
InChIKeyJUKKCFKJAJQKCG-UHFFFAOYSA-N
XLogP11.11
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.83
LogP ≤ 511.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine 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

2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166915890
12-[4-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166915678
9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961286
5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 162363414
7-carbazol-9-yl-5-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 163934402
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 163568836
6-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 163511090
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961353
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
CID 163493498
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine (CID 166801783) is 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine is C1=Cc2oc3cc(-n4c5ccccc5c5ccccc54)ccc3c2C(C2=NC(c3ccc(-c4ccc5ccccc5c4)cc3)N=C(c3ccccc3)N2)N1.
What is the InChIKey of 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
The InChIKey is JUKKCFKJAJQKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5O/c1-2-11-32(12-3-1)46-50-47(33-21-18-31(19-22-33)35-23-20-30-10-4-5-13-34(30)28-35)52-48(51-46)45-44-39-25-24-36(29-43(39)54-42(44)26-27-49-45)53-40-16-8-6-14-37(40)38-15-7-9-17-41(38)53/h1-29,45,47,49H,(H,50,51,52).
What are the key properties of 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine has a molecular weight of 695.83 g/mol, XLogP of 11.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 166801783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).