4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole

C112H82N2S2 — CID 162176901

IUPAC4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
SMILESCc1cccc(-c2cccc3c2sc2ccccc23)c1-c1ccccc1.Cc1cccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1-c1ccccc1.Cc1ccccc1-c1ccccc1-c1cccc2c1sc1ccccc12.Cc1ccccc1-c1ccccc1-c1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/2C31H23N.2C25H18S/c1-22-12-10-18-26(30(22)23-13-4-2-5-14-23)28-20-11-19-27-25-17-8-9-21-29(25)32(31(27)28)24-15-6-3-7-16-24;1-22-12-5-6-15-24(22)25-16-7-8-17-26(25)28-19-11-20-29-27-18-9-10-21-30(27)32(31(28)29)23-13-3-2-4-14-23;1-17-9-2-3-10-18(17)19-11-4-5-12-20(19)22-14-8-15-23-21-13-6-7-16-24(21)26-25(22)23;1-17-9-7-13-20(24(17)18-10-3-2-4-11-18)22-15-8-14-21-19-12-5-6-16-23(19)26-25(21)22/h2*2-21H,1H3;2*2-16H,1H3
InChIKeyZOMWFPMOTUFPJM-UHFFFAOYSA-N
MW1520.04 g/mol
LogP32.25
Rot. Bonds10

About 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole

4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole (PubChem CID 162176901) has the molecular formula C112H82N2S2 and a molecular weight of 1520.04 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
PubChem CID162176901
Molecular FormulaC112H82N2S2
Molecular Weight1520.04 g/mol
Exact Mass1518.59
IUPAC Name4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
SMILESCc1cccc(-c2cccc3c2sc2ccccc23)c1-c1ccccc1.Cc1cccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1-c1ccccc1.Cc1ccccc1-c1ccccc1-c1cccc2c1sc1ccccc12.Cc1ccccc1-c1ccccc1-c1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/2C31H23N.2C25H18S/c1-22-12-10-18-26(30(22)23-13-4-2-5-14-23)28-20-11-19-27-25-17-8-9-21-29(25)32(31(27)28)24-15-6-3-7-16-24;1-22-12-5-6-15-24(22)25-16-7-8-17-26(25)28-19-11-20-29-27-18-9-10-21-30(27)32(31(28)29)23-13-3-2-4-14-23;1-17-9-2-3-10-18(17)19-11-4-5-12-20(19)22-14-8-15-23-21-13-6-7-16-24(21)26-25(22)23;1-17-9-7-13-20(24(17)18-10-3-2-4-11-18)22-15-8-14-21-19-12-5-6-16-23(19)26-25(21)22/h2*2-21H,1H3;2*2-16H,1H3
InChIKeyZOMWFPMOTUFPJM-UHFFFAOYSA-N
XLogP32.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001520.04
LogP ≤ 532.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole with MolForge

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Related Compounds

1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
CID 87171646
1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 146397378
3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4,5-diphenyl-1,2,4-triazole
CID 58518733
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828067
9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 163980013
12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 163934459
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole
CID 177079249
1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 159815376
6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828069

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole?
The IUPAC name of 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole (CID 162176901) is 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole?
The canonical SMILES for 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole is Cc1cccc(-c2cccc3c2sc2ccccc23)c1-c1ccccc1.Cc1cccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1-c1ccccc1.Cc1ccccc1-c1ccccc1-c1cccc2c1sc1ccccc12.Cc1ccccc1-c1ccccc1-c1cccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole?
The InChIKey is ZOMWFPMOTUFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H23N.2C25H18S/c1-22-12-10-18-26(30(22)23-13-4-2-5-14-23)28-20-11-19-27-25-17-8-9-21-29(25)32(31(27)28)24-15-6-3-7-16-24;1-22-12-5-6-15-24(22)25-16-7-8-17-26(25)28-19-11-20-29-27-18-9-10-21-30(27)32(31(28)29)23-13-3-2-4-14-23;1-17-9-2-3-10-18(17)19-11-4-5-12-20(19)22-14-8-15-23-21-13-6-7-16-24(21)26-25(22)23;1-17-9-7-13-20(24(17)18-10-3-2-4-11-18)22-15-8-14-21-19-12-5-6-16-23(19)26-25(21)22/h2*2-21H,1H3;2*2-16H,1H3.
What are the key properties of 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole?
4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole has a molecular weight of 1520.04 g/mol, XLogP of 32.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 162176901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).