23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene

C38H28N2 — CID 134428142

IUPAC23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccccc2-c2ccccc2-c2ccccc2-4)cc1
InChIInChI=1S/C38H28N2/c1-3-13-27(14-4-1)39-23-24-40(28-15-5-2-6-16-28)38-26-36-34-22-12-10-20-32(34)30-18-8-7-17-29(30)31-19-9-11-21-33(31)35(36)25-37(38)39/h1-22,25-26H,23-24H2/b31-29-,32-30-,35-33-,36-34-
InChIKeyUOHSCYBHDZJHKV-FWNWMOKYSA-N
MW512.66 g/mol
LogP9.96
Rot. Bonds2

About 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene

23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene (PubChem CID 134428142) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene.

Molecular Properties

Compound Name23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene
PubChem CID134428142
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccccc2-c2ccccc2-c2ccccc2-4)cc1
InChIInChI=1S/C38H28N2/c1-3-13-27(14-4-1)39-23-24-40(28-15-5-2-6-16-28)38-26-36-34-22-12-10-20-32(34)30-18-8-7-17-29(30)31-19-9-11-21-33(31)35(36)25-37(38)39/h1-22,25-26H,23-24H2/b31-29-,32-30-,35-33-,36-34-
InChIKeyUOHSCYBHDZJHKV-FWNWMOKYSA-N
XLogP9.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene?
The IUPAC name of 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene (CID 134428142) is 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene.
What is the SMILES notation for 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene?
The canonical SMILES for 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene is c1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccccc2-c2ccccc2-c2ccccc2-4)cc1.
What is the InChIKey of 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene?
The InChIKey is UOHSCYBHDZJHKV-FWNWMOKYSA-N. The full InChI is InChI=1S/C38H28N2/c1-3-13-27(14-4-1)39-23-24-40(28-15-5-2-6-16-28)38-26-36-34-22-12-10-20-32(34)30-18-8-7-17-29(30)31-19-9-11-21-33(31)35(36)25-37(38)39/h1-22,25-26H,23-24H2/b31-29-,32-30-,35-33-,36-34-.
What are the key properties of 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene?
23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene has a molecular weight of 512.66 g/mol, XLogP of 9.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene is sourced from PubChem (CID 134428142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).