5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene

C43H27N — CID 118655949

IUPAC5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cc3c(cc2-c2ccccc2-c2ccccc2-4)-c2ccccc2C3)cc1
InChIInChI=1S/C43H27N/c1-2-13-29(14-3-1)44-42-21-11-10-20-35(42)41-25-39-34-19-9-7-17-32(34)31-16-6-8-18-33(31)38-24-36-28(22-27-12-4-5-15-30(27)36)23-37(38)40(39)26-43(41)44/h1-21,23-26H,22H2/b32-31-,38-33-,39-34-,40-37-
InChIKeyNUMVPDSXDRGOKJ-IVAQKPDXSA-N
MW557.70 g/mol
LogP11.34
Rot. Bonds1

About 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene

5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene (PubChem CID 118655949) has the molecular formula C43H27N and a molecular weight of 557.70 g/mol. Its IUPAC name is 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene.

Molecular Properties

Compound Name5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene
PubChem CID118655949
Molecular FormulaC43H27N
Molecular Weight557.70 g/mol
Exact Mass557.21
IUPAC Name5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cc3c(cc2-c2ccccc2-c2ccccc2-4)-c2ccccc2C3)cc1
InChIInChI=1S/C43H27N/c1-2-13-29(14-3-1)44-42-21-11-10-20-35(42)41-25-39-34-19-9-7-17-32(34)31-16-6-8-18-33(31)38-24-36-28(22-27-12-4-5-15-30(27)36)23-37(38)40(39)26-43(41)44/h1-21,23-26H,22H2/b32-31-,38-33-,39-34-,40-37-
InChIKeyNUMVPDSXDRGOKJ-IVAQKPDXSA-N
XLogP11.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene?
The IUPAC name of 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene (CID 118655949) is 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene.
What is the SMILES notation for 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene?
The canonical SMILES for 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cc3c(cc2-c2ccccc2-c2ccccc2-4)-c2ccccc2C3)cc1.
What is the InChIKey of 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene?
The InChIKey is NUMVPDSXDRGOKJ-IVAQKPDXSA-N. The full InChI is InChI=1S/C43H27N/c1-2-13-29(14-3-1)44-42-21-11-10-20-35(42)41-25-39-34-19-9-7-17-32(34)31-16-6-8-18-33(31)38-24-36-28(22-27-12-4-5-15-30(27)36)23-37(38)40(39)26-43(41)44/h1-21,23-26H,22H2/b32-31-,38-33-,39-34-,40-37-.
What are the key properties of 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene?
5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene has a molecular weight of 557.70 g/mol, XLogP of 11.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene is sourced from PubChem (CID 118655949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).