15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene

C44H24N4S — CID 118615384

IUPAC15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6c7ccccc7sc6c6c7nc8ccccc8nc7n5c46)ccc32)cc1
InChIInChI=1S/C44H24N4S/c1-2-10-27(11-3-1)47-36-16-8-4-12-28(36)30-22-25(18-20-37(30)47)26-19-21-38-31(23-26)32-24-33-29-13-5-9-17-39(29)49-43(33)40-41-44(48(38)42(32)40)46-35-15-7-6-14-34(35)45-41/h1-24H
InChIKeySVDRIFDSLREZOH-UHFFFAOYSA-N
MW640.77 g/mol
LogP11.91
Rot. Bonds2

About 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene

15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene (PubChem CID 118615384) has the molecular formula C44H24N4S and a molecular weight of 640.77 g/mol. Its IUPAC name is 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene
PubChem CID118615384
Molecular FormulaC44H24N4S
Molecular Weight640.77 g/mol
Exact Mass640.17
IUPAC Name15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6c7ccccc7sc6c6c7nc8ccccc8nc7n5c46)ccc32)cc1
InChIInChI=1S/C44H24N4S/c1-2-10-27(11-3-1)47-36-16-8-4-12-28(36)30-22-25(18-20-37(30)47)26-19-21-38-31(23-26)32-24-33-29-13-5-9-17-39(29)49-43(33)40-41-44(48(38)42(32)40)46-35-15-7-6-14-34(35)45-41/h1-24H
InChIKeySVDRIFDSLREZOH-UHFFFAOYSA-N
XLogP11.91
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.77
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene?
The IUPAC name of 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene (CID 118615384) is 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene?
The canonical SMILES for 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6c7ccccc7sc6c6c7nc8ccccc8nc7n5c46)ccc32)cc1.
What is the InChIKey of 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene?
The InChIKey is SVDRIFDSLREZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4S/c1-2-10-27(11-3-1)47-36-16-8-4-12-28(36)30-22-25(18-20-37(30)47)26-19-21-38-31(23-26)32-24-33-29-13-5-9-17-39(29)49-43(33)40-41-44(48(38)42(32)40)46-35-15-7-6-14-34(35)45-41/h1-24H.
What are the key properties of 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene?
15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene has a molecular weight of 640.77 g/mol, XLogP of 11.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(9-phenylcarbazol-3-yl)-3-thia-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 118615384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).