10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene

C42H25NS — CID 121324812

IUPAC10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ccccc5c4cc32)cc1
InChIInChI=1S/C42H25NS/c1-2-10-28(11-3-1)43-39-16-8-6-14-32(39)37-24-35-31-20-18-26(22-34(31)29-12-4-5-13-30(29)36(35)25-40(37)43)27-19-21-42-38(23-27)33-15-7-9-17-41(33)44-42/h1-25H
InChIKeyMKTXRXKSGGVARK-UHFFFAOYSA-N
MW575.74 g/mol
LogP12.28
Rot. Bonds2

About 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene

10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene (PubChem CID 121324812) has the molecular formula C42H25NS and a molecular weight of 575.74 g/mol. Its IUPAC name is 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene.

Molecular Properties

Compound Name10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
PubChem CID121324812
Molecular FormulaC42H25NS
Molecular Weight575.74 g/mol
Exact Mass575.17
IUPAC Name10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ccccc5c4cc32)cc1
InChIInChI=1S/C42H25NS/c1-2-10-28(11-3-1)43-39-16-8-6-14-32(39)37-24-35-31-20-18-26(22-34(31)29-12-4-5-13-30(29)36(35)25-40(37)43)27-19-21-42-38(23-27)33-15-7-9-17-41(33)44-42/h1-25H
InChIKeyMKTXRXKSGGVARK-UHFFFAOYSA-N
XLogP12.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.74
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene 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

3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
10-dibenzothiophen-3-yl-23-(3,5-diphenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324813
23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417795

Frequently Asked Questions

What is the IUPAC name of 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
The IUPAC name of 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene (CID 121324812) is 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene.
What is the SMILES notation for 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
The canonical SMILES for 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene is c1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7sc8ccccc8c7c6)cc5c5ccccc5c4cc32)cc1.
What is the InChIKey of 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
The InChIKey is MKTXRXKSGGVARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NS/c1-2-10-28(11-3-1)43-39-16-8-6-14-32(39)37-24-35-31-20-18-26(22-34(31)29-12-4-5-13-30(29)36(35)25-40(37)43)27-19-21-42-38(23-27)33-15-7-9-17-41(33)44-42/h1-25H.
What are the key properties of 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene has a molecular weight of 575.74 g/mol, XLogP of 12.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene is sourced from PubChem (CID 121324812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).