bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine

C153H128N19+5 — CID 161373063

IUPACbis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine
SMILESCc1ccc2nc3ccc(Nc4ccccc4)cc3[n+](-c3ccccc3)c2c1.c1ccc(Nc2cc3c(nc4ccc(N5CCCC5)cc4[n+]3-c3ccccc3)c3ccccc23)cc1.c1ccc(Nc2cc3c(nc4ccc(N5CCCCC5)cc4[n+]3-c3ccccc3)c3ccccc23)cc1.c1ccc(Nc2cc3c(nc4ccc(N5CCCCC5)cc4[n+]3-c3ccccc3)c3ccccc23)cc1.c1ccc(Nc2ccc3nc4ccc(Nc5ccccc5)cc4[n+](-c4ccccc4)c3c2)cc1
InChIInChI=1S/2C33H28N4.C32H26N4.C30H22N4.C25H19N3/c2*1-4-12-24(13-5-1)34-30-23-32-33(28-17-9-8-16-27(28)30)35-29-19-18-26(36-20-10-3-11-21-36)22-31(29)37(32)25-14-6-2-7-15-25;1-3-11-23(12-4-1)33-29-22-31-32(27-16-8-7-15-26(27)29)34-28-18-17-25(35-19-9-10-20-35)21-30(28)36(31)24-13-5-2-6-14-24;1-4-10-22(11-5-1)31-24-16-18-27-29(20-24)34(26-14-8-3-9-15-26)30-21-25(17-19-28(30)33-27)32-23-12-6-2-7-13-23;1-18-12-14-22-24(16-18)28(21-10-6-3-7-11-21)25-17-20(13-15-23(25)27-22)26-19-8-4-2-5-9-19/h2*1-2,4-9,12-19,22-23H,3,10-11,20-21H2;1-8,11-18,21-22H,9-10,19-20H2;1-21H,(H,31,32);2-17H,1H3/p+5
InChIKeyVQSHNAZIMVDJRJ-UHFFFAOYSA-S
MW2232.84 g/mol
LogP35.13
Rot. Bonds20

About bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine

bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine (PubChem CID 161373063) has the molecular formula C153H128N19+5 and a molecular weight of 2232.84 g/mol. Its IUPAC name is bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine.

Molecular Properties

Compound Namebis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine
PubChem CID161373063
Molecular FormulaC153H128N19+5
Molecular Weight2232.84 g/mol
Exact Mass2231.06
IUPAC Namebis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine
SMILESCc1ccc2nc3ccc(Nc4ccccc4)cc3[n+](-c3ccccc3)c2c1.c1ccc(Nc2cc3c(nc4ccc(N5CCCC5)cc4[n+]3-c3ccccc3)c3ccccc23)cc1.c1ccc(Nc2cc3c(nc4ccc(N5CCCCC5)cc4[n+]3-c3ccccc3)c3ccccc23)cc1.c1ccc(Nc2cc3c(nc4ccc(N5CCCCC5)cc4[n+]3-c3ccccc3)c3ccccc23)cc1.c1ccc(Nc2ccc3nc4ccc(Nc5ccccc5)cc4[n+](-c4ccccc4)c3c2)cc1
InChIInChI=1S/2C33H28N4.C32H26N4.C30H22N4.C25H19N3/c2*1-4-12-24(13-5-1)34-30-23-32-33(28-17-9-8-16-27(28)30)35-29-19-18-26(36-20-10-3-11-21-36)22-31(29)37(32)25-14-6-2-7-15-25;1-3-11-23(12-4-1)33-29-22-31-32(27-16-8-7-15-26(27)29)34-28-18-17-25(35-19-9-10-20-35)21-30(28)36(31)24-13-5-2-6-14-24;1-4-10-22(11-5-1)31-24-16-18-27-29(20-24)34(26-14-8-3-9-15-26)30-21-25(17-19-28(30)33-27)32-23-12-6-2-7-13-23;1-18-12-14-22-24(16-18)28(21-10-6-3-7-11-21)25-17-20(13-15-23(25)27-22)26-19-8-4-2-5-9-19/h2*1-2,4-9,12-19,22-23H,3,10-11,20-21H2;1-8,11-18,21-22H,9-10,19-20H2;1-21H,(H,31,32);2-17H,1H3/p+5
InChIKeyVQSHNAZIMVDJRJ-UHFFFAOYSA-S
XLogP35.13
TPSA165.75 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002232.84
LogP ≤ 535.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine?
The IUPAC name of bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine (CID 161373063) is bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine.
What is the SMILES notation for bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine?
The canonical SMILES for bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine is Cc1ccc2nc3ccc(Nc4ccccc4)cc3[n+](-c3ccccc3)c2c1.c1ccc(Nc2cc3c(nc4ccc(N5CCCC5)cc4[n+]3-c3ccccc3)c3ccccc23)cc1.c1ccc(Nc2cc3c(nc4ccc(N5CCCCC5)cc4[n+]3-c3ccccc3)c3ccccc23)cc1.c1ccc(Nc2cc3c(nc4ccc(N5CCCCC5)cc4[n+]3-c3ccccc3)c3ccccc23)cc1.c1ccc(Nc2ccc3nc4ccc(Nc5ccccc5)cc4[n+](-c4ccccc4)c3c2)cc1.
What is the InChIKey of bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine?
The InChIKey is VQSHNAZIMVDJRJ-UHFFFAOYSA-S. The full InChI is InChI=1S/2C33H28N4.C32H26N4.C30H22N4.C25H19N3/c2*1-4-12-24(13-5-1)34-30-23-32-33(28-17-9-8-16-27(28)30)35-29-19-18-26(36-20-10-3-11-21-36)22-31(29)37(32)25-14-6-2-7-15-25;1-3-11-23(12-4-1)33-29-22-31-32(27-16-8-7-15-26(27)29)34-28-18-17-25(35-19-9-10-20-35)21-30(28)36(31)24-13-5-2-6-14-24;1-4-10-22(11-5-1)31-24-16-18-27-29(20-24)34(26-14-8-3-9-15-26)30-21-25(17-19-28(30)33-27)32-23-12-6-2-7-13-23;1-18-12-14-22-24(16-18)28(21-10-6-3-7-11-21)25-17-20(13-15-23(25)27-22)26-19-8-4-2-5-9-19/h2*1-2,4-9,12-19,22-23H,3,10-11,20-21H2;1-8,11-18,21-22H,9-10,19-20H2;1-21H,(H,31,32);2-17H,1H3/p+5.
What are the key properties of bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine?
bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine has a molecular weight of 2232.84 g/mol, XLogP of 35.13, 20 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,7-diphenyl-9-piperidin-1-ylbenzo[a]phenazin-7-ium-5-amine);N,7-diphenyl-9-pyrrolidin-1-ylbenzo[a]phenazin-7-ium-5-amine;8-methyl-N,10-diphenylphenazin-10-ium-2-amine;2-N,8-N,10-triphenylphenazin-10-ium-2,8-diamine is sourced from PubChem (CID 161373063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).