1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole

C42H25N3S — CID 142571936

IUPAC1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cccc(-c4ccc5sc6ccc7ccccc7c6c5c4)c32)cc1
InChIInChI=1S/C42H25N3S/c1-2-12-27(13-3-1)40-42(44-35-19-8-7-18-34(35)43-40)45-36-20-9-6-15-31(36)32-17-10-16-30(41(32)45)28-22-23-37-33(25-28)39-29-14-5-4-11-26(29)21-24-38(39)46-37/h1-25H
InChIKeyPSVZOEMKCLTQSJ-UHFFFAOYSA-N
MW603.75 g/mol
LogP11.58
Rot. Bonds3

About 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole

1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole (PubChem CID 142571936) has the molecular formula C42H25N3S and a molecular weight of 603.75 g/mol. Its IUPAC name is 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole.

Molecular Properties

Compound Name1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole
PubChem CID142571936
Molecular FormulaC42H25N3S
Molecular Weight603.75 g/mol
Exact Mass603.18
IUPAC Name1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cccc(-c4ccc5sc6ccc7ccccc7c6c5c4)c32)cc1
InChIInChI=1S/C42H25N3S/c1-2-12-27(13-3-1)40-42(44-35-19-8-7-18-34(35)43-40)45-36-20-9-6-15-31(36)32-17-10-16-30(41(32)45)28-22-23-37-33(25-28)39-29-14-5-4-11-26(29)21-24-38(39)46-37/h1-25H
InChIKeyPSVZOEMKCLTQSJ-UHFFFAOYSA-N
XLogP11.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.75
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142572129
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142570234
15-(3-phenylquinoxalin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118657591
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142571631
8-(3-phenylquinoxalin-2-yl)-26-thia-8-azaheptacyclo[21.2.1.05,25.06,18.07,15.09,14.019,24]hexacosa-1,3,5,7(15),9,11,13,16,18,20,22,24-dodecaene
CID 166096428
9-dibenzothiophen-2-yl-12-(3-phenylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149755
9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1-naphtho[2,1-b][1]benzothiol-9-ylcarbazole
CID 142570384
8-dibenzofuran-2-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142571164
10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481137
14-(3-phenylquinoxalin-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139422459
8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142570474
21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-naphtho[2,1-b][1]benzothiol-10-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142570265

Frequently Asked Questions

What is the IUPAC name of 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole?
The IUPAC name of 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole (CID 142571936) is 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole.
What is the SMILES notation for 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole?
The canonical SMILES for 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole is c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cccc(-c4ccc5sc6ccc7ccccc7c6c5c4)c32)cc1.
What is the InChIKey of 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole?
The InChIKey is PSVZOEMKCLTQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3S/c1-2-12-27(13-3-1)40-42(44-35-19-8-7-18-34(35)43-40)45-36-20-9-6-15-31(36)32-17-10-16-30(41(32)45)28-22-23-37-33(25-28)39-29-14-5-4-11-26(29)21-24-38(39)46-37/h1-25H.
What are the key properties of 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole?
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole has a molecular weight of 603.75 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole is sourced from PubChem (CID 142571936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).