15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C44H26N4S — CID 170371904

IUPAC15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)nc3c2sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C44H26N4S/c1-3-14-28(15-4-1)40-43-41(33-24-23-27-13-7-8-18-30(27)42(33)49-43)46-44(45-40)48-37-22-12-10-20-32(37)35-25-38-34(26-39(35)48)31-19-9-11-21-36(31)47(38)29-16-5-2-6-17-29/h1-26H
InChIKeyBSTLPHXEOLFERI-UHFFFAOYSA-N
MW642.79 g/mol
LogP11.86
Rot. Bonds3

About 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 170371904) has the molecular formula C44H26N4S and a molecular weight of 642.79 g/mol. Its IUPAC name is 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID170371904
Molecular FormulaC44H26N4S
Molecular Weight642.79 g/mol
Exact Mass642.19
IUPAC Name15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)nc3c2sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C44H26N4S/c1-3-14-28(15-4-1)40-43-41(33-24-23-27-13-7-8-18-30(27)42(33)49-43)46-44(45-40)48-37-22-12-10-20-32(37)35-25-38-34(26-39(35)48)31-19-9-11-21-36(31)47(38)29-16-5-2-6-17-29/h1-26H
InChIKeyBSTLPHXEOLFERI-UHFFFAOYSA-N
XLogP11.86
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.79
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene 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

7-(15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-b]carbazole
CID 171050951
15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 129128914
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
CID 121402040
2-benzo[b]carbazol-5-yl-8-phenyl-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146392233
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 130355727
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 162473143
7-phenyl-10-[9-(4-phenylbenzo[h]quinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 155153254
15-phenyl-13-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371570
2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118232385
2-carbazol-9-yl-4-[3-(2-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 177271578
2-benzo[c]carbazol-7-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 166849685
2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121402019

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 170371904) is 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)nc3c2sc2c4ccccc4ccc32)cc1.
What is the InChIKey of 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is BSTLPHXEOLFERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4S/c1-3-14-28(15-4-1)40-43-41(33-24-23-27-13-7-8-18-30(27)42(33)49-43)46-44(45-40)48-37-22-12-10-20-32(37)35-25-38-34(26-39(35)48)31-19-9-11-21-36(31)47(38)29-16-5-2-6-17-29/h1-26H.
What are the key properties of 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 642.79 g/mol, XLogP of 11.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 170371904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).