9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

C43H28N4 — CID 158541429

IUPAC9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccc4ccccc4c3)n2)c([2H])c1[2H]
InChIInChI=1S/C43H28N4/c1-2-11-32(12-3-1)41-44-42(46-43(45-41)35-23-20-29-10-4-5-13-34(29)28-35)33-21-18-30(19-22-33)31-24-26-36(27-25-31)47-39-16-8-6-14-37(39)38-15-7-9-17-40(38)47/h1-28H/i1D,2D,3D,11D,12D
InChIKeyWDNSRXLBPXUMEA-QJJXXHCMSA-N
MW605.76 g/mol
LogP10.79
Rot. Bonds5

About 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 158541429) has the molecular formula C43H28N4 and a molecular weight of 605.76 g/mol. Its IUPAC name is 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID158541429
Molecular FormulaC43H28N4
Molecular Weight605.76 g/mol
Exact Mass605.26
IUPAC Name9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccc4ccccc4c3)n2)c([2H])c1[2H]
InChIInChI=1S/C43H28N4/c1-2-11-32(12-3-1)41-44-42(46-43(45-41)35-23-20-29-10-4-5-13-34(29)28-35)33-21-18-30(19-22-33)31-24-26-36(27-25-31)47-39-16-8-6-14-37(39)38-15-7-9-17-40(38)47/h1-28H/i1D,2D,3D,11D,12D
InChIKeyWDNSRXLBPXUMEA-QJJXXHCMSA-N
XLogP10.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.76
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]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

11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161403390
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
9-[3-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164959848
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
CID 135144088
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 159708925
3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167031817
9-[4-[4-[3-[7-[3-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphthalen-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146650760
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037360
9-[3-carbazol-9-yl-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167052622
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 162425024
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 158541429) is 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccc4ccccc4c3)n2)c([2H])c1[2H].
What is the InChIKey of 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is WDNSRXLBPXUMEA-QJJXXHCMSA-N. The full InChI is InChI=1S/C43H28N4/c1-2-11-32(12-3-1)41-44-42(46-43(45-41)35-23-20-29-10-4-5-13-34(29)28-35)33-21-18-30(19-22-33)31-24-26-36(27-25-31)47-39-16-8-6-14-37(39)38-15-7-9-17-40(38)47/h1-28H/i1D,2D,3D,11D,12D.
What are the key properties of 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 605.76 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 158541429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).