11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole

C48H33NS — CID 170044268

About 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole

11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole (PubChem CID 170044268) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole
• PubChem CID: 170044268
• Molecular Formula: C48H33NS
• Molecular Weight: 655.87 g/mol
• Exact Mass: 655.23
• IUPAC Name: 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole
• SMILES: C/C=C\c1ccc2c(c1C)c1c3ccccc3ccc1n2-c1ccc(-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3S4)c2)cc1
• InChI: InChI=1S/C48H33NS/c1-3-10-31-21-26-42-46(30(31)2)48-38-14-5-4-11-33(38)22-27-43(48)49(42)36-23-19-32(20-24-36)34-12-8-13-35(29-34)37-25-28-45-47-40(37)16-9-17-41(47)39-15-6-7-18-44(39)50-45/h3-29H,1-2H3/b10-3-
• InChIKey: KVZXLPSWFXITJT-KMKOMSMNSA-N
• XLogP: 13.90
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.87
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole?

The IUPAC name of 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole (CID 170044268) is 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole.

What is the SMILES notation for 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole?

The canonical SMILES for 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole is C/C=C\c1ccc2c(c1C)c1c3ccccc3ccc1n2-c1ccc(-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3S4)c2)cc1.

What is the InChIKey of 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole?

The InChIKey is KVZXLPSWFXITJT-KMKOMSMNSA-N. The full InChI is InChI=1S/C48H33NS/c1-3-10-31-21-26-42-46(30(31)2)48-38-14-5-4-11-33(38)22-27-43(48)49(42)36-23-19-32(20-24-36)34-12-8-13-35(29-34)37-25-28-45-47-40(37)16-9-17-41(47)39-15-6-7-18-44(39)50-45/h3-29H,1-2H3/b10-3-.

What are the key properties of 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole?

11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole has a molecular weight of 655.87 g/mol, XLogP of 13.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-methyl-10-[(Z)-prop-1-enyl]-7-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 170044268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).