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

C56H33N7S — CID 122546124

IUPAC4-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
SMILESc1ccc2c(c1)nc1n(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c3nc4ccccc4n3c3cc(-n4c5ccccc5c5ccccc54)ccc3n21
InChIInChI=1S/C56H33N7S/c1-7-19-45-37(13-1)38-14-2-8-20-46(38)59(45)34-26-29-53-41(31-34)42-32-35(27-30-54(42)64-53)61-55-57-43-17-5-11-23-49(43)62(55)51-28-25-36(33-52(51)63-50-24-12-6-18-44(50)58-56(61)63)60-47-21-9-3-15-39(47)40-16-4-10-22-48(40)60/h1-33H
InChIKeyYYLMVBYOJJACFS-UHFFFAOYSA-N
MW836.00 g/mol
LogP14.36
Rot. Bonds3

About 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

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 (PubChem CID 122546124) has the molecular formula C56H33N7S and a molecular weight of 836.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID122546124
Molecular FormulaC56H33N7S
Molecular Weight836.00 g/mol
Exact Mass835.25
IUPAC Name4-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
SMILESc1ccc2c(c1)nc1n(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c3nc4ccccc4n3c3cc(-n4c5ccccc5c5ccccc54)ccc3n21
InChIInChI=1S/C56H33N7S/c1-7-19-45-37(13-1)38-14-2-8-20-46(38)59(45)34-26-29-53-41(31-34)42-32-35(27-30-54(42)64-53)61-55-57-43-17-5-11-23-49(43)62(55)51-28-25-36(33-52(51)63-50-24-12-6-18-44(50)58-56(61)63)60-47-21-9-3-15-39(47)40-16-4-10-22-48(40)60/h1-33H
InChIKeyYYLMVBYOJJACFS-UHFFFAOYSA-N
XLogP14.36
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.00
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
4-(3-carbazol-9-ylcarbazol-9-yl)-17-thia-1,8,15,19-tetrazahexacyclo[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 122546171
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
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-[8-(4-fluorocarbazol-9-yl)dibenzothiophen-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
CID 121419643
5-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482529
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
9-[8-(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-undecaen-17-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 122546258
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
5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene
CID 129087599
6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]indole
CID 146631411

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)nc1n(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c3nc4ccccc4n3c3cc(-n4c5ccccc5c5ccccc54)ccc3n21.
What is the InChIKey of 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?
The InChIKey is YYLMVBYOJJACFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N7S/c1-7-19-45-37(13-1)38-14-2-8-20-46(38)59(45)34-26-29-53-41(31-34)42-32-35(27-30-54(42)64-53)61-55-57-43-17-5-11-23-49(43)62(55)51-28-25-36(33-52(51)63-50-24-12-6-18-44(50)58-56(61)63)60-47-21-9-3-15-39(47)40-16-4-10-22-48(40)60/h1-33H.
What are the key properties of 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?
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 has a molecular weight of 836.00 g/mol, XLogP of 14.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122546124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).