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

C53H31N5O — CID 155042447

IUPAC5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)ccc2c1
InChIInChI=1S/C53H31N5O/c1-2-14-33-29-36(26-25-32(33)13-1)51-54-52(56-53(55-51)58-44-22-10-5-17-37(44)38-18-6-11-23-45(38)58)49-46(28-27-41-40-20-8-12-24-48(40)59-50(41)49)57-43-21-9-7-19-39(43)42-30-34-15-3-4-16-35(34)31-47(42)57/h1-31H
InChIKeyQBPAMUZMZLDKAI-UHFFFAOYSA-N
MW753.87 g/mol
LogP13.61
Rot. Bonds4

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

5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 155042447) has the molecular formula C53H31N5O and a molecular weight of 753.87 g/mol. Its IUPAC name is 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
PubChem CID155042447
Molecular FormulaC53H31N5O
Molecular Weight753.87 g/mol
Exact Mass753.25
IUPAC Name5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)ccc2c1
InChIInChI=1S/C53H31N5O/c1-2-14-33-29-36(26-25-32(33)13-1)51-54-52(56-53(55-51)58-44-22-10-5-17-37(44)38-18-6-11-23-45(38)58)49-46(28-27-41-40-20-8-12-24-48(40)59-50(41)49)57-43-21-9-7-19-39(43)42-30-34-15-3-4-16-35(34)31-47(42)57/h1-31H
InChIKeyQBPAMUZMZLDKAI-UHFFFAOYSA-N
XLogP13.61
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.87
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-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-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042478
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347943
5-[4-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347729
5-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 167347748
5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 167347702
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167348048
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347914
5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 167044059
12-[4-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167347614
5-[4-(4-dibenzothiophen-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700106
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714738

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (CID 155042447) is 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4c(-n5c6ccccc6c6cc7ccccc7cc65)ccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)ccc2c1.
What is the InChIKey of 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is QBPAMUZMZLDKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N5O/c1-2-14-33-29-36(26-25-32(33)13-1)51-54-52(56-53(55-51)58-44-22-10-5-17-37(44)38-18-6-11-23-45(38)58)49-46(28-27-41-40-20-8-12-24-48(40)59-50(41)49)57-43-21-9-7-19-39(43)42-30-34-15-3-4-16-35(34)31-47(42)57/h1-31H.
What are the key properties of 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 753.87 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 155042447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).