2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole

C47H27N3OS — CID 167453512

IUPAC2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole
SMILESc1ccc2cc(-c3cc4nc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)oc4c4c3sc3ccccc34)ccc2c1
InChIInChI=1S/C47H27N3OS/c1-2-12-29-25-30(22-21-28(29)11-1)36-27-38-45(44-35-16-6-10-20-43(35)52-46(36)44)51-47(48-38)50-41-19-9-5-15-34(41)37-26-31(23-24-42(37)50)49-39-17-7-3-13-32(39)33-14-4-8-18-40(33)49/h1-27H
InChIKeyRGTRWHUDPNOMOV-UHFFFAOYSA-N
MW681.82 g/mol
LogP13.21
Rot. Bonds3

About 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole

2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole (PubChem CID 167453512) has the molecular formula C47H27N3OS and a molecular weight of 681.82 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole
PubChem CID167453512
Molecular FormulaC47H27N3OS
Molecular Weight681.82 g/mol
Exact Mass681.19
IUPAC Name2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole
SMILESc1ccc2cc(-c3cc4nc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)oc4c4c3sc3ccccc34)ccc2c1
InChIInChI=1S/C47H27N3OS/c1-2-12-29-25-30(22-21-28(29)11-1)36-27-38-45(44-35-16-6-10-20-43(35)52-46(36)44)51-47(48-38)50-41-19-9-5-15-34(41)37-26-31(23-24-42(37)50)49-39-17-7-3-13-32(39)33-14-4-8-18-40(33)49/h1-27H
InChIKeyRGTRWHUDPNOMOV-UHFFFAOYSA-N
XLogP13.21
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.82
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole 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-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167452896
12-naphthalen-2-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530208
2-(3-carbazol-9-ylcarbazol-9-yl)-5-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167454279
3-dibenzothiophen-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118449069
12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
CID 159473458
6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;6-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
CID 161013402
5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 167453334
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
9-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]carbazole
CID 170348325
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 161381988
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-naphthalen-2-ylcarbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole;6-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 162161949
20-carbazol-9-yl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129038228

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole (CID 167453512) is 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole is c1ccc2cc(-c3cc4nc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)oc4c4c3sc3ccccc34)ccc2c1.
What is the InChIKey of 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole?
The InChIKey is RGTRWHUDPNOMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3OS/c1-2-12-29-25-30(22-21-28(29)11-1)36-27-38-45(44-35-16-6-10-20-43(35)52-46(36)44)51-47(48-38)50-41-19-9-5-15-34(41)37-26-31(23-24-42(37)50)49-39-17-7-3-13-32(39)33-14-4-8-18-40(33)49/h1-27H.
What are the key properties of 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole?
2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole has a molecular weight of 681.82 g/mol, XLogP of 13.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167453512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).