15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C38H22N4S — CID 129297639

IUPAC15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)Sc1cccc3nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)nc-2c13
InChIInChI=1S/C38H22N4S/c1-5-16-28-23(11-1)24-12-2-6-17-29(24)41(28)31-19-10-20-32-35(31)25-13-3-7-18-30(25)42(32)38-39-27-15-9-22-34-36(27)37(40-38)26-14-4-8-21-33(26)43-34/h1-22H
InChIKeyWQWLAVATRXQZAZ-UHFFFAOYSA-N
MW566.69 g/mol
LogP9.96
Rot. Bonds2

About 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 129297639) has the molecular formula C38H22N4S and a molecular weight of 566.69 g/mol. Its IUPAC name is 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID129297639
Molecular FormulaC38H22N4S
Molecular Weight566.69 g/mol
Exact Mass566.16
IUPAC Name15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)Sc1cccc3nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)nc-2c13
InChIInChI=1S/C38H22N4S/c1-5-16-28-23(11-1)24-12-2-6-17-29(24)41(28)31-19-10-20-32-35(31)25-13-3-7-18-30(25)42(32)38-39-27-15-9-22-34-36(27)37(40-38)26-14-4-8-21-33(26)43-34/h1-22H
InChIKeyWQWLAVATRXQZAZ-UHFFFAOYSA-N
XLogP9.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.69
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

15-(15-phenyl-9,15-diazahexacyclo[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-undecaen-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297374
5-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzothiolo[3,2-c]carbazole
CID 129298032
7-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129297671
15-thieno[2,3-b]carbazol-9-yl-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297207
11-phenyl-19-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129298010
15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297667
15-(14,14-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129298037
15-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297167
15-[9-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297889
24-(8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 129297664
15-[10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazol-7-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297370
15-[3-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)carbazol-9-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297332

Frequently Asked Questions

What is the IUPAC name of 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 129297639) is 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc2c(c1)Sc1cccc3nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)nc-2c13.
What is the InChIKey of 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is WQWLAVATRXQZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4S/c1-5-16-28-23(11-1)24-12-2-6-17-29(24)41(28)31-19-10-20-32-35(31)25-13-3-7-18-30(25)42(32)38-39-27-15-9-22-34-36(27)37(40-38)26-14-4-8-21-33(26)43-34/h1-22H.
What are the key properties of 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 566.69 g/mol, XLogP of 9.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-carbazol-9-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 129297639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).