3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole

C51H34N4O — CID 170137084

IUPAC3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
SMILESC1=CC2C(C=C1c1cccc3c1oc1ccccc13)c1ccccc1N2c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H34N4O/c1-3-13-34(14-4-1)49-52-50(35-15-5-2-6-16-35)54-51(53-49)38-18-11-17-36(31-38)33-25-28-39(29-26-33)55-45-23-9-7-19-41(45)44-32-37(27-30-46(44)55)40-21-12-22-43-42-20-8-10-24-47(42)56-48(40)43/h1-32,44,46H
InChIKeyNJEUQPRHULLVBX-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.70
Rot. Bonds6

About 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole

3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole (PubChem CID 170137084) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
PubChem CID170137084
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
SMILESC1=CC2C(C=C1c1cccc3c1oc1ccccc13)c1ccccc1N2c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H34N4O/c1-3-13-34(14-4-1)49-52-50(35-15-5-2-6-16-35)54-51(53-49)38-18-11-17-36(31-38)33-25-28-39(29-26-33)55-45-23-9-7-19-41(45)44-32-37(27-30-46(44)55)40-21-12-22-43-42-20-8-10-24-47(42)56-48(40)43/h1-32,44,46H
InChIKeyNJEUQPRHULLVBX-UHFFFAOYSA-N
XLogP12.70
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole 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

7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163579665
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-[4-[8-(4-methylphenyl)dibenzofuran-4-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 145318401
9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole
CID 166988242
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163770394
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456080
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
2-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146431469
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163574280
2-(4-dibenzofuran-4-ylphenyl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165151324

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole (CID 170137084) is 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole is C1=CC2C(C=C1c1cccc3c1oc1ccccc13)c1ccccc1N2c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole?
The InChIKey is NJEUQPRHULLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-3-13-34(14-4-1)49-52-50(35-15-5-2-6-16-35)54-51(53-49)38-18-11-17-36(31-38)33-25-28-39(29-26-33)55-45-23-9-7-19-41(45)44-32-37(27-30-46(44)55)40-21-12-22-43-42-20-8-10-24-47(42)56-48(40)43/h1-32,44,46H.
What are the key properties of 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole?
3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole has a molecular weight of 718.86 g/mol, XLogP of 12.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole is sourced from PubChem (CID 170137084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).