9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole

C102H64N8O2 — CID 165093740

IUPAC9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)c4)c3c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)c4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/2C51H32N4O/c1-3-13-34(14-4-1)40-21-12-23-45-48(40)43-20-7-9-22-44(43)55(45)39-18-11-17-37(31-39)33-25-27-36(28-26-33)50-52-49(35-15-5-2-6-16-35)53-51(54-50)38-29-30-42-41-19-8-10-24-46(41)56-47(42)32-38;1-3-12-33(13-4-1)38-26-28-42-41-18-7-9-20-45(41)55(46(42)31-38)40-17-11-16-37(30-40)34-22-24-36(25-23-34)50-52-49(35-14-5-2-6-15-35)53-51(54-50)39-27-29-44-43-19-8-10-21-47(43)56-48(44)32-39/h2*1-32H
InChIKeyXDNARTXLRQXGDV-UHFFFAOYSA-N
MW1433.69 g/mol
LogP26.41
Rot. Bonds12

About 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole

9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole (PubChem CID 165093740) has the molecular formula C102H64N8O2 and a molecular weight of 1433.69 g/mol. Its IUPAC name is 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
PubChem CID165093740
Molecular FormulaC102H64N8O2
Molecular Weight1433.69 g/mol
Exact Mass1432.52
IUPAC Name9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)c4)c3c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)c4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/2C51H32N4O/c1-3-13-34(14-4-1)40-21-12-23-45-48(40)43-20-7-9-22-44(43)55(45)39-18-11-17-37(31-39)33-25-27-36(28-26-33)50-52-49(35-15-5-2-6-16-35)53-51(54-50)38-29-30-42-41-19-8-10-24-46(41)56-47(42)32-38;1-3-12-33(13-4-1)38-26-28-42-41-18-7-9-20-45(41)55(46(42)31-38)40-17-11-16-37(30-40)34-22-24-36(25-23-34)50-52-49(35-14-5-2-6-15-35)53-51(54-50)39-27-29-44-43-19-8-10-21-47(43)56-48(44)32-39/h2*1-32H
InChIKeyXDNARTXLRQXGDV-UHFFFAOYSA-N
XLogP26.41
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms112
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001433.69
LogP ≤ 526.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole?
The IUPAC name of 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole (CID 165093740) is 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole.
What is the SMILES notation for 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole?
The canonical SMILES for 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)c4)c3c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)c4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole?
The InChIKey is XDNARTXLRQXGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H32N4O/c1-3-13-34(14-4-1)40-21-12-23-45-48(40)43-20-7-9-22-44(43)55(45)39-18-11-17-37(31-39)33-25-27-36(28-26-33)50-52-49(35-15-5-2-6-16-35)53-51(54-50)38-29-30-42-41-19-8-10-24-46(41)56-47(42)32-38;1-3-12-33(13-4-1)38-26-28-42-41-18-7-9-20-45(41)55(46(42)31-38)40-17-11-16-37(30-40)34-22-24-36(25-23-34)50-52-49(35-14-5-2-6-15-35)53-51(54-50)39-27-29-44-43-19-8-10-21-47(43)56-48(44)32-39/h2*1-32H.
What are the key properties of 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole?
9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole has a molecular weight of 1433.69 g/mol, XLogP of 26.41, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole is sourced from PubChem (CID 165093740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).