5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole

C61H37N5OS — CID 167043358

IUPAC5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
SMILESCC1N=C(c2c(-n3c4ccccc4c4cc5ccccc5cc43)ccc3oc4cc5ccccc5cc4c23)N=C(c2cccc3sc4ccccc4c23)N=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C61H37N5OS/c1-35-61(66-48-25-11-6-19-40(48)41-20-7-12-26-49(41)66)64-59(44-23-14-28-55-56(44)43-22-9-13-27-54(43)68-55)63-60(62-35)58-50(29-30-52-57(58)46-32-37-16-3-5-18-39(37)34-53(46)67-52)65-47-24-10-8-21-42(47)45-31-36-15-2-4-17-38(36)33-51(45)65/h2-35H,1H3
InChIKeyISSKVMYOMNQBMD-UHFFFAOYSA-N
MW888.07 g/mol
LogP16.01
Rot. Bonds3

About 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole

5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole (PubChem CID 167043358) has the molecular formula C61H37N5OS and a molecular weight of 888.07 g/mol. Its IUPAC name is 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
PubChem CID167043358
Molecular FormulaC61H37N5OS
Molecular Weight888.07 g/mol
Exact Mass887.27
IUPAC Name5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
SMILESCC1N=C(c2c(-n3c4ccccc4c4cc5ccccc5cc43)ccc3oc4cc5ccccc5cc4c23)N=C(c2cccc3sc4ccccc4c23)N=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C61H37N5OS/c1-35-61(66-48-25-11-6-19-40(48)41-20-7-12-26-49(41)66)64-59(44-23-14-28-55-56(44)43-22-9-13-27-54(43)68-55)63-60(62-35)58-50(29-30-52-57(58)46-32-37-16-3-5-18-39(37)34-53(46)67-52)65-47-24-10-8-21-42(47)45-31-36-15-2-4-17-38(36)33-51(45)65/h2-35H,1H3
InChIKeyISSKVMYOMNQBMD-UHFFFAOYSA-N
XLogP16.01
TPSA60.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.07
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-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-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 164714845
5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714660
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 166700651
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559
5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347963
5-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
12-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-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 166700694
5-[3-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347352
5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233
12-[1-(4-dibenzothiophen-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-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 164714905
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
5-[1-[(7E)-4-dibenzothiophen-3-yl-5-methyl-2-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-8-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 167043343

Frequently Asked Questions

What is the IUPAC name of 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole (CID 167043358) is 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole is CC1N=C(c2c(-n3c4ccccc4c4cc5ccccc5cc43)ccc3oc4cc5ccccc5cc4c23)N=C(c2cccc3sc4ccccc4c23)N=C1n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
The InChIKey is ISSKVMYOMNQBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5OS/c1-35-61(66-48-25-11-6-19-40(48)41-20-7-12-26-49(41)66)64-59(44-23-14-28-55-56(44)43-22-9-13-27-54(43)68-55)63-60(62-35)58-50(29-30-52-57(58)46-32-37-16-3-5-18-39(37)34-53(46)67-52)65-47-24-10-8-21-42(47)45-31-36-15-2-4-17-38(36)33-51(45)65/h2-35H,1H3.
What are the key properties of 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole has a molecular weight of 888.07 g/mol, XLogP of 16.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(7-carbazol-9-yl-2-dibenzothiophen-1-yl-6-methyl-6H-1,3,5-triazepin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 167043358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).