7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole

C38H23NS — CID 170042328

IUPAC7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole
SMILESc1cc(-c2ccc3c(c2)-c2cccc4cccc(c24)S3)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C38H23NS/c1-2-13-29-24(8-1)18-20-34-38(29)31-14-3-4-16-33(31)39(34)28-12-5-11-26(22-28)27-19-21-35-32(23-27)30-15-6-9-25-10-7-17-36(40-35)37(25)30/h1-23H
InChIKeyXCUBCAUXQDOGKR-UHFFFAOYSA-N
MW525.68 g/mol
LogP10.89
Rot. Bonds2

About 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole

7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole (PubChem CID 170042328) has the molecular formula C38H23NS and a molecular weight of 525.68 g/mol. Its IUPAC name is 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole
PubChem CID170042328
Molecular FormulaC38H23NS
Molecular Weight525.68 g/mol
Exact Mass525.16
IUPAC Name7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole
SMILESc1cc(-c2ccc3c(c2)-c2cccc4cccc(c24)S3)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C38H23NS/c1-2-13-29-24(8-1)18-20-34-38(29)31-14-3-4-16-33(31)39(34)28-12-5-11-26(22-28)27-19-21-35-32(23-27)30-15-6-9-25-10-7-17-36(40-35)37(25)30/h1-23H
InChIKeyXCUBCAUXQDOGKR-UHFFFAOYSA-N
XLogP10.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.68
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole with MolForge

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Related Compounds

7-[3-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]benzo[c]carbazole
CID 170044059
7-[2-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]benzo[c]carbazole
CID 177127728
7-phenyl-10-[2-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole
CID 170043235
7-phenyl-4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)benzo[c]carbazole
CID 170042326
7-phenyl-5-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole
CID 170044058
7-phenyl-6-[2-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole
CID 170043398
11-phenyl-2-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[a]carbazole
CID 177126789
5-[4-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]benzo[b]carbazole
CID 170041535
9-phenyl-1-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]carbazole
CID 177127872
diphenyl-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)carbazol-9-yl]phenyl]borane
CID 177128087
5-phenyl-7-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)benzo[b]carbazole
CID 170038362
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171

Frequently Asked Questions

What is the IUPAC name of 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole?
The IUPAC name of 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole (CID 170042328) is 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole is c1cc(-c2ccc3c(c2)-c2cccc4cccc(c24)S3)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole?
The InChIKey is XCUBCAUXQDOGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS/c1-2-13-29-24(8-1)18-20-34-38(29)31-14-3-4-16-33(31)39(34)28-12-5-11-26(22-28)27-19-21-35-32(23-27)30-15-6-9-25-10-7-17-36(40-35)37(25)30/h1-23H.
What are the key properties of 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole?
7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole has a molecular weight of 525.68 g/mol, XLogP of 10.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 170042328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).