11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole

C35H21N3S — CID 118502874

IUPAC11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc2cc(-n3c(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc4ccccc43)ccc2c1
InChIInChI=1S/C35H21N3S/c1-2-10-23-19-24(18-17-22(23)9-1)37-31-15-7-5-13-29(31)36-35(37)38-30-14-6-3-11-25(30)27-21-34-28(20-32(27)38)26-12-4-8-16-33(26)39-34/h1-21H
InChIKeyUVLYVWAXNFTUNN-UHFFFAOYSA-N
MW515.64 g/mol
LogP9.64
Rot. Bonds2

About 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole

11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 118502874) has the molecular formula C35H21N3S and a molecular weight of 515.64 g/mol. Its IUPAC name is 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID118502874
Molecular FormulaC35H21N3S
Molecular Weight515.64 g/mol
Exact Mass515.15
IUPAC Name11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc2cc(-n3c(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc4ccccc43)ccc2c1
InChIInChI=1S/C35H21N3S/c1-2-10-23-19-24(18-17-22(23)9-1)37-31-15-7-5-13-29(31)36-35(37)38-30-14-6-3-11-25(30)27-21-34-28(20-32(27)38)26-12-4-8-16-33(26)39-34/h1-21H
InChIKeyUVLYVWAXNFTUNN-UHFFFAOYSA-N
XLogP9.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(1-naphthalen-2-ylbenzimidazol-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118487877
15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25-phenyl-5-thia-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 145180265
11-(4-iodophenyl)-[1]benzothiolo[3,2-b]carbazole
CID 126517447
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502936
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
17-phenyl-13-thia-17,22,29-triazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30,32,34-hexadecaene
CID 140956688
11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole
CID 147747131
9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375377
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
30-isoquinolin-3-yl-5-thia-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361055

Frequently Asked Questions

What is the IUPAC name of 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole (CID 118502874) is 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole is c1ccc2cc(-n3c(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc4ccccc43)ccc2c1.
What is the InChIKey of 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is UVLYVWAXNFTUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3S/c1-2-10-23-19-24(18-17-22(23)9-1)37-31-15-7-5-13-29(31)36-35(37)38-30-14-6-3-11-25(30)27-21-34-28(20-32(27)38)26-12-4-8-16-33(26)39-34/h1-21H.
What are the key properties of 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole?
11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 515.64 g/mol, XLogP of 9.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-naphthalen-2-ylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 118502874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).