7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole

C55H35N3S2 — CID 147485381

IUPAC7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4sc(-c5cccc6c5sc5ccccc56)nc34)cc2)CC1
InChIInChI=1S/C55H35N3S2/c1-6-19-47-40(12-1)41-13-2-7-20-48(41)57(47)36-28-24-34(25-29-36)38-32-33-39(35-26-30-37(31-27-35)58-49-21-8-3-14-42(49)43-15-4-9-22-50(43)58)54-52(38)56-55(60-54)46-18-11-17-45-44-16-5-10-23-51(44)59-53(45)46/h1,3-12,14-33H,2,13H2
InChIKeyFELWLUOHMLIZPS-UHFFFAOYSA-N
MW802.04 g/mol
LogP15.67
Rot. Bonds5

About 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole

7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole (PubChem CID 147485381) has the molecular formula C55H35N3S2 and a molecular weight of 802.04 g/mol. Its IUPAC name is 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole
PubChem CID147485381
Molecular FormulaC55H35N3S2
Molecular Weight802.04 g/mol
Exact Mass801.23
IUPAC Name7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4sc(-c5cccc6c5sc5ccccc56)nc34)cc2)CC1
InChIInChI=1S/C55H35N3S2/c1-6-19-47-40(12-1)41-13-2-7-20-48(41)57(47)36-28-24-34(25-29-36)38-32-33-39(35-26-30-37(31-27-35)58-49-21-8-3-14-42(49)43-15-4-9-22-50(43)58)54-52(38)56-55(60-54)46-18-11-17-45-44-16-5-10-23-51(44)59-53(45)46/h1,3-12,14-33H,2,13H2
InChIKeyFELWLUOHMLIZPS-UHFFFAOYSA-N
XLogP15.67
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.04
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole 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

2-(4-carbazol-9-ylphenyl)-4,7-bis[4-(6,7-dihydrodibenzothiophen-2-yl)phenyl]-1,3-benzothiazole
CID 144624129
10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 139457346
2-dibenzofuran-2-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzothiazole
CID 162043532
9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 155027642
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674
9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole
CID 170278418
21-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-9-thia-21-azaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),22,24,26-tridecaene
CID 142289844
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
2-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole
CID 122591922

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole (CID 147485381) is 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole is C1=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4sc(-c5cccc6c5sc5ccccc56)nc34)cc2)CC1.
What is the InChIKey of 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole?
The InChIKey is FELWLUOHMLIZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3S2/c1-6-19-47-40(12-1)41-13-2-7-20-48(41)57(47)36-28-24-34(25-29-36)38-32-33-39(35-26-30-37(31-27-35)58-49-21-8-3-14-42(49)43-15-4-9-22-50(43)58)54-52(38)56-55(60-54)46-18-11-17-45-44-16-5-10-23-51(44)59-53(45)46/h1,3-12,14-33H,2,13H2.
What are the key properties of 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole?
7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole has a molecular weight of 802.04 g/mol, XLogP of 15.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 147485381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).