17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene

C32H19N5S — CID 122546169

IUPAC17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
SMILESc1ccc2c(c1)nc1n(-c3ccc4sc5ccccc5c4c3)c3nc4ccccc4n3c3ccccc3n21
InChIInChI=1S/C32H19N5S/c1-8-16-29-21(9-1)22-19-20(17-18-30(22)38-29)35-31-33-23-10-2-4-12-25(23)36(31)27-14-6-7-15-28(27)37-26-13-5-3-11-24(26)34-32(35)37/h1-19H
InChIKeyVLWSQSAUKOTQQL-UHFFFAOYSA-N
MW505.61 g/mol
LogP8.16
Rot. Bonds1

About 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene

17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene (PubChem CID 122546169) has the molecular formula C32H19N5S and a molecular weight of 505.61 g/mol. Its IUPAC name is 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene.

Molecular Properties

Compound Name17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
PubChem CID122546169
Molecular FormulaC32H19N5S
Molecular Weight505.61 g/mol
Exact Mass505.14
IUPAC Name17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
SMILESc1ccc2c(c1)nc1n(-c3ccc4sc5ccccc5c4c3)c3nc4ccccc4n3c3ccccc3n21
InChIInChI=1S/C32H19N5S/c1-8-16-29-21(9-1)22-19-20(17-18-30(22)38-29)35-31-33-23-10-2-4-12-25(23)36(31)27-14-6-7-15-28(27)37-26-13-5-3-11-24(26)34-32(35)37/h1-19H
InChIKeyVLWSQSAUKOTQQL-UHFFFAOYSA-N
XLogP8.16
TPSA39.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.61
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene with MolForge

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Related Compounds

4-carbazol-9-yl-17-(8-carbazol-9-yldibenzothiophen-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546124
5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482529
6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]indole
CID 146631411
34-dibenzothiophen-2-yl-2,9,17,24,34-pentazanonacyclo[24.11.0.02,10.03,8.011,16.017,25.018,23.027,35.028,33]heptatriaconta-1(26),3,5,7,9,11,13,15,18,20,22,24,27(35),28,30,32,36-heptadecaene
CID 122470973
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
2-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
CID 121419643
12,27-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2,4,6,9(14),10,12,15,17,19,21,24(29),25,27-tetradecaene
CID 130450199
23-methyl-9-thia-14,21,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.015,20]tricosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 155082026
17-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 122546214
[2-[2-[6-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-2-pyridinyl]benzimidazolo[1,2-a]benzimidazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]-6-carbazol-9-yl-4-pyridinyl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093669
17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
CID 138571403

Frequently Asked Questions

What is the IUPAC name of 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene?
The IUPAC name of 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene (CID 122546169) is 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene.
What is the SMILES notation for 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene?
The canonical SMILES for 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene is c1ccc2c(c1)nc1n(-c3ccc4sc5ccccc5c4c3)c3nc4ccccc4n3c3ccccc3n21.
What is the InChIKey of 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene?
The InChIKey is VLWSQSAUKOTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N5S/c1-8-16-29-21(9-1)22-19-20(17-18-30(22)38-29)35-31-33-23-10-2-4-12-25(23)36(31)27-14-6-7-15-28(27)37-26-13-5-3-11-24(26)34-32(35)37/h1-19H.
What are the key properties of 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene?
17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene has a molecular weight of 505.61 g/mol, XLogP of 8.16, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-dibenzothiophen-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene is sourced from PubChem (CID 122546169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).