15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C42H25N3S — CID 170371648

IUPAC15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-n3c4cccc(-c5ccccc5)c4c4c5ccccc5ccc43)nc3c2sc2cc4ccccc4cc23)cc1
InChIInChI=1S/C42H25N3S/c1-3-12-26(13-4-1)32-20-11-21-34-37(32)38-31-19-10-9-14-27(31)22-23-35(38)45(34)42-43-39(28-15-5-2-6-16-28)41-40(44-42)33-24-29-17-7-8-18-30(29)25-36(33)46-41/h1-25H
InChIKeyNIQQDBPWSUQRDO-UHFFFAOYSA-N
MW603.75 g/mol
LogP11.58
Rot. Bonds3

About 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 170371648) has the molecular formula C42H25N3S and a molecular weight of 603.75 g/mol. Its IUPAC name is 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID170371648
Molecular FormulaC42H25N3S
Molecular Weight603.75 g/mol
Exact Mass603.18
IUPAC Name15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-n3c4cccc(-c5ccccc5)c4c4c5ccccc5ccc43)nc3c2sc2cc4ccccc4cc23)cc1
InChIInChI=1S/C42H25N3S/c1-3-12-26(13-4-1)32-20-11-21-34-37(32)38-31-19-10-9-14-27(31)22-23-35(38)45(34)42-43-39(28-15-5-2-6-16-28)41-40(44-42)33-24-29-17-7-8-18-30(29)25-36(33)46-41/h1-25H
InChIKeyNIQQDBPWSUQRDO-UHFFFAOYSA-N
XLogP11.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.75
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

13-(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371687
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-benzo[c]carbazol-7-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 166849685
2-(18-naphthalen-2-yl-19-phenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaen-6-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 167285302
15-phenyl-13-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-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 170371642
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
2-(22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaen-22-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154597902
2-benzo[c]carbazol-7-yl-4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 163901733
4-naphthalen-2-yl-2-[14-(4-phenylquinazolin-2-yl)-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]-[1]benzothiolo[3,2-d]pyrimidine
CID 147865952
22-[4-(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621521
2-(8-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142569946
2-[3-(5,9-diphenylcarbazol-4-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118232323

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-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 170371648) is 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc(-c2nc(-n3c4cccc(-c5ccccc5)c4c4c5ccccc5ccc43)nc3c2sc2cc4ccccc4cc23)cc1.
What is the InChIKey of 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is NIQQDBPWSUQRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3S/c1-3-12-26(13-4-1)32-20-11-21-34-37(32)38-31-19-10-9-14-27(31)22-23-35(38)45(34)42-43-39(28-15-5-2-6-16-28)41-40(44-42)33-24-29-17-7-8-18-30(29)25-36(33)46-41/h1-25H.
What are the key properties of 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 603.75 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 170371648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).