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

C44H26N6S — CID 122546171

IUPAC4-(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
SMILESc1ccc2c(c1)nc1sc3nc4ccccc4n3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3n12
InChIInChI=1S/C44H26N6S/c1-6-16-35-29(11-1)30-12-2-7-17-36(30)47(35)27-21-23-38-32(25-27)31-13-3-8-18-37(31)48(38)28-22-24-41-42(26-28)50-40-20-10-5-15-34(40)46-44(50)51-43-45-33-14-4-9-19-39(33)49(41)43/h1-26H
InChIKeyOOCNLFVWHKARBQ-UHFFFAOYSA-N
MW670.80 g/mol
LogP11.26
Rot. Bonds2

About 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

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 (PubChem CID 122546171) has the molecular formula C44H26N6S and a molecular weight of 670.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID122546171
Molecular FormulaC44H26N6S
Molecular Weight670.80 g/mol
Exact Mass670.19
IUPAC Name4-(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
SMILESc1ccc2c(c1)nc1sc3nc4ccccc4n3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3n12
InChIInChI=1S/C44H26N6S/c1-6-16-35-29(11-1)30-12-2-7-17-36(30)47(35)27-21-23-38-32(25-27)31-13-3-8-18-37(31)48(38)28-22-24-41-42(26-28)50-40-20-10-5-15-34(40)46-44(50)51-43-45-33-14-4-9-19-39(33)49(41)43/h1-26H
InChIKeyOOCNLFVWHKARBQ-UHFFFAOYSA-N
XLogP11.26
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
ethane;4-methyl-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 145383764
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
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
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
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
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
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
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146626082
5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174283099

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)nc1sc3nc4ccccc4n3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3n12.
What is the InChIKey of 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?
The InChIKey is OOCNLFVWHKARBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6S/c1-6-16-35-29(11-1)30-12-2-7-17-36(30)47(35)27-21-23-38-32(25-27)31-13-3-8-18-37(31)48(38)28-22-24-41-42(26-28)50-40-20-10-5-15-34(40)46-44(50)51-43-45-33-14-4-9-19-39(33)49(41)43/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 670.80 g/mol, XLogP of 11.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122546171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).