3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene

C57H37N5 — CID 90231456

IUPAC3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene
SMILESc1ccc(-c2nc3c(c4ccc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6n(-c6ccccc6)c5c4n3-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C57H37N5/c1-6-18-38(19-7-1)56-58-57-55(62(56)44-26-14-5-15-27-44)47-33-32-46-49-37-40(39-30-34-51-48(36-39)45-28-16-17-29-50(45)59(51)41-20-8-2-9-21-41)31-35-52(49)60(42-22-10-3-11-23-42)53(46)54(47)61(57)43-24-12-4-13-25-43/h1-37H
InChIKeyVMTCFNOMELYUFD-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.50
Rot. Bonds6

About 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene

3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene (PubChem CID 90231456) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene.

Molecular Properties

Compound Name3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene
PubChem CID90231456
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene
SMILESc1ccc(-c2nc3c(c4ccc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6n(-c6ccccc6)c5c4n3-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C57H37N5/c1-6-18-38(19-7-1)56-58-57-55(62(56)44-26-14-5-15-27-44)47-33-32-46-49-37-40(39-30-34-51-48(36-39)45-28-16-17-29-50(45)59(51)41-20-8-2-9-21-41)31-35-52(49)60(42-22-10-3-11-23-42)53(46)54(47)61(57)43-24-12-4-13-25-43/h1-37H
InChIKeyVMTCFNOMELYUFD-UHFFFAOYSA-N
XLogP14.50
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene?
The IUPAC name of 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene (CID 90231456) is 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene.
What is the SMILES notation for 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene?
The canonical SMILES for 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene is c1ccc(-c2nc3c(c4ccc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6n(-c6ccccc6)c5c4n3-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene?
The InChIKey is VMTCFNOMELYUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-6-18-38(19-7-1)56-58-57-55(62(56)44-26-14-5-15-27-44)47-33-32-46-49-37-40(39-30-34-51-48(36-39)45-28-16-17-29-50(45)59(51)41-20-8-2-9-21-41)31-35-52(49)60(42-22-10-3-11-23-42)53(46)54(47)61(57)43-24-12-4-13-25-43/h1-37H.
What are the key properties of 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene?
3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene has a molecular weight of 791.96 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,19-tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene is sourced from PubChem (CID 90231456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).