2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol

C38H26N2OS — CID 134420356

IUPAC2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol
SMILESSCCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C38H26N2OS/c42-20-19-24-13-16-36-30(21-24)29-9-3-6-12-35(29)40(36)26-15-18-38-32(23-26)31-22-25(14-17-37(31)41-38)39-33-10-4-1-7-27(33)28-8-2-5-11-34(28)39/h1-18,21-23,42H,19-20H2
InChIKeyQQIKDHGNBLVRQE-UHFFFAOYSA-N
MW558.71 g/mol
LogP10.25
Rot. Bonds4

About 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol

2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol (PubChem CID 134420356) has the molecular formula C38H26N2OS and a molecular weight of 558.71 g/mol. Its IUPAC name is 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol.

Molecular Properties

Compound Name2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol
PubChem CID134420356
Molecular FormulaC38H26N2OS
Molecular Weight558.71 g/mol
Exact Mass558.18
IUPAC Name2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol
SMILESSCCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C38H26N2OS/c42-20-19-24-13-16-36-30(21-24)29-9-3-6-12-35(29)40(36)26-15-18-38-32(23-26)31-22-25(14-17-37(31)41-38)39-33-10-4-1-7-27(33)28-8-2-5-11-34(28)39/h1-18,21-23,42H,19-20H2
InChIKeyQQIKDHGNBLVRQE-UHFFFAOYSA-N
XLogP10.25
TPSA23.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.71
LogP ≤ 510.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol 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

9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147032
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372

Frequently Asked Questions

What is the IUPAC name of 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol?
The IUPAC name of 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol (CID 134420356) is 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol.
What is the SMILES notation for 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol?
The canonical SMILES for 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol is SCCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol?
The InChIKey is QQIKDHGNBLVRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2OS/c42-20-19-24-13-16-36-30(21-24)29-9-3-6-12-35(29)40(36)26-15-18-38-32(23-26)31-22-25(14-17-37(31)41-38)39-33-10-4-1-7-27(33)28-8-2-5-11-34(28)39/h1-18,21-23,42H,19-20H2.
What are the key properties of 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol?
2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol has a molecular weight of 558.71 g/mol, XLogP of 10.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol is sourced from PubChem (CID 134420356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).