12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole

C48H27N3OS — CID 170371922

IUPAC12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3c2sc2c4ccccc4c(-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C48H27N3OS/c1-2-14-29(15-3-1)42-47-43(39-27-38(32-18-6-7-21-37(32)46(39)53-47)31-22-12-16-28-13-4-5-17-30(28)31)50-48(49-42)51-40-23-10-8-19-33(40)35-25-26-36-34-20-9-11-24-41(34)52-45(36)44(35)51/h1-27H
InChIKeyZFPQQWYLUDRHII-UHFFFAOYSA-N
MW693.83 g/mol
LogP13.48
Rot. Bonds3

About 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole

12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 170371922) has the molecular formula C48H27N3OS and a molecular weight of 693.83 g/mol. Its IUPAC name is 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID170371922
Molecular FormulaC48H27N3OS
Molecular Weight693.83 g/mol
Exact Mass693.19
IUPAC Name12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3c2sc2c4ccccc4c(-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C48H27N3OS/c1-2-14-29(15-3-1)42-47-43(39-27-38(32-18-6-7-21-37(32)46(39)53-47)31-22-12-16-28-13-4-5-17-30(28)31)50-48(49-42)51-40-23-10-8-19-33(40)35-25-26-36-34-20-9-11-24-41(34)52-45(36)44(35)51/h1-27H
InChIKeyZFPQQWYLUDRHII-UHFFFAOYSA-N
XLogP13.48
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.83
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

12-(13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole
CID 170371290
2-(4-dibenzofuran-4-ylbenzo[b]carbazol-5-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;ethane
CID 142570325
7-(15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-b]carbazole
CID 171050951
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;12-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-a]carbazole;4-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 161378881
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
2-(4-dibenzofuran-2-ylbenzo[b]carbazol-5-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142571288
12-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 130333810
12-(4-naphtho[1,2-b][1]benzofuran-10-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 156564433
2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 159087402
12-(5-phenylnaphthalen-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502601
2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 165103058

Frequently Asked Questions

What is the IUPAC name of 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole (CID 170371922) is 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3c2sc2c4ccccc4c(-c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is ZFPQQWYLUDRHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N3OS/c1-2-14-29(15-3-1)42-47-43(39-27-38(32-18-6-7-21-37(32)46(39)53-47)31-22-12-16-28-13-4-5-17-30(28)31)50-48(49-42)51-40-23-10-8-19-33(40)35-25-26-36-34-20-9-11-24-41(34)52-45(36)44(35)51/h1-27H.
What are the key properties of 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole?
12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 693.83 g/mol, XLogP of 13.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(8-naphthalen-1-yl-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 170371922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).