5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole

C61H35N5O2 — CID 167347889

IUPAC5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc6oc7ccccc7c6cc5-n5c6ccccc6c6cc7ccccc7cc65)n4)cc32)cc1
InChIInChI=1S/C61H35N5O2/c1-2-16-40(17-3-1)65-50-22-10-6-18-41(50)43-28-26-39(33-52(43)65)60-62-59(38-27-29-57-47(31-38)44-20-8-12-24-55(44)67-57)63-61(64-60)49-35-58-48(45-21-9-13-25-56(45)68-58)34-54(49)66-51-23-11-7-19-42(51)46-30-36-14-4-5-15-37(36)32-53(46)66/h1-35H
InChIKeyRQXHZKITBGXWAN-UHFFFAOYSA-N
MW869.98 g/mol
LogP16.02
Rot. Bonds5

About 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole

5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 167347889) has the molecular formula C61H35N5O2 and a molecular weight of 869.98 g/mol. Its IUPAC name is 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID167347889
Molecular FormulaC61H35N5O2
Molecular Weight869.98 g/mol
Exact Mass869.28
IUPAC Name5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc6oc7ccccc7c6cc5-n5c6ccccc6c6cc7ccccc7cc65)n4)cc32)cc1
InChIInChI=1S/C61H35N5O2/c1-2-16-40(17-3-1)65-50-22-10-6-18-41(50)43-28-26-39(33-52(43)65)60-62-59(38-27-29-57-47(31-38)44-20-8-12-24-55(44)67-57)63-61(64-60)49-35-58-48(45-21-9-13-25-56(45)68-58)34-54(49)66-51-23-11-7-19-42(51)46-30-36-14-4-5-15-37(36)32-53(46)66/h1-35H
InChIKeyRQXHZKITBGXWAN-UHFFFAOYSA-N
XLogP16.02
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.98
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]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

5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043108
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167348086
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700154
5-[2-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347317
5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043111
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
CID 155034514
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
12-[3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700220
5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347585
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501
5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole
CID 155430650
5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 155037672

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (CID 167347889) is 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc6oc7ccccc7c6cc5-n5c6ccccc6c6cc7ccccc7cc65)n4)cc32)cc1.
What is the InChIKey of 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is RQXHZKITBGXWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35N5O2/c1-2-16-40(17-3-1)65-50-22-10-6-18-41(50)43-28-26-39(33-52(43)65)60-62-59(38-27-29-57-47(31-38)44-20-8-12-24-55(44)67-57)63-61(64-60)49-35-58-48(45-21-9-13-25-56(45)68-58)34-54(49)66-51-23-11-7-19-42(51)46-30-36-14-4-5-15-37(36)32-53(46)66/h1-35H.
What are the key properties of 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 869.98 g/mol, XLogP of 16.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 167347889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).