5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine

C132H101N11O3 — CID 160942577

IUPAC5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine
SMILESCN1c2cc3ccccc3cc2N(c2ccccc2)c2c1ccc1ccccc21.CN1c2ccccc2N(C)c2ccccc21.CN1c2ccccc2N(c2ccccc2)c2c1c1ccccc1c1ccccc21.CN1c2ccccc2N(c2ccccc2)c2c1ccc1ccccc21.CN1c2ccccc2N(c2ccccc2)c2ccccc21.Cn1c2ccccc2c(=O)c2ccc3c(c21)C(=O)c1ccccc1C3=O
InChIInChI=1S/2C27H20N2.C23H18N2.C22H13NO3.C19H16N2.C14H14N2/c1-28-24-17-9-10-18-25(24)29(19-11-3-2-4-12-19)27-23-16-8-6-14-21(23)20-13-5-7-15-22(20)26(27)28;1-28-24-16-15-19-9-7-8-14-23(19)27(24)29(22-12-3-2-4-13-22)26-18-21-11-6-5-10-20(21)17-25(26)28;1-24-20-13-7-8-14-21(20)25(18-10-3-2-4-11-18)23-19-12-6-5-9-17(19)15-16-22(23)24;1-23-17-9-5-4-8-14(17)21(25)16-11-10-15-18(19(16)23)22(26)13-7-3-2-6-12(13)20(15)24;1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-15-11-7-3-5-9-13(11)16(2)14-10-6-4-8-12(14)15/h2*2-18H,1H3;2-16H,1H3;2-11H,1H3;2-14H,1H3;3-10H,1-2H3
InChIKeySURQRZPEDRYDPG-UHFFFAOYSA-N
MW1889.33 g/mol
LogP33.72
Rot. Bonds4

About 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine

5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine (PubChem CID 160942577) has the molecular formula C132H101N11O3 and a molecular weight of 1889.33 g/mol. Its IUPAC name is 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine.

Molecular Properties

Compound Name5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine
PubChem CID160942577
Molecular FormulaC132H101N11O3
Molecular Weight1889.33 g/mol
Exact Mass1887.81
IUPAC Name5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine
SMILESCN1c2cc3ccccc3cc2N(c2ccccc2)c2c1ccc1ccccc21.CN1c2ccccc2N(C)c2ccccc21.CN1c2ccccc2N(c2ccccc2)c2c1c1ccccc1c1ccccc21.CN1c2ccccc2N(c2ccccc2)c2c1ccc1ccccc21.CN1c2ccccc2N(c2ccccc2)c2ccccc21.Cn1c2ccccc2c(=O)c2ccc3c(c21)C(=O)c1ccccc1C3=O
InChIInChI=1S/2C27H20N2.C23H18N2.C22H13NO3.C19H16N2.C14H14N2/c1-28-24-17-9-10-18-25(24)29(19-11-3-2-4-12-19)27-23-16-8-6-14-21(23)20-13-5-7-15-22(20)26(27)28;1-28-24-16-15-19-9-7-8-14-23(19)27(24)29(22-12-3-2-4-13-22)26-18-21-11-6-5-10-20(21)17-25(26)28;1-24-20-13-7-8-14-21(20)25(18-10-3-2-4-11-18)23-19-12-6-5-9-17(19)15-16-22(23)24;1-23-17-9-5-4-8-14(17)21(25)16-11-10-15-18(19(16)23)22(26)13-7-3-2-6-12(13)20(15)24;1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-15-11-7-3-5-9-13(11)16(2)14-10-6-4-8-12(14)15/h2*2-18H,1H3;2-16H,1H3;2-11H,1H3;2-14H,1H3;3-10H,1-2H3
InChIKeySURQRZPEDRYDPG-UHFFFAOYSA-N
XLogP33.72
TPSA88.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001889.33
LogP ≤ 533.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine?
The IUPAC name of 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine (CID 160942577) is 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine.
What is the SMILES notation for 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine?
The canonical SMILES for 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine is CN1c2cc3ccccc3cc2N(c2ccccc2)c2c1ccc1ccccc21.CN1c2ccccc2N(C)c2ccccc21.CN1c2ccccc2N(c2ccccc2)c2c1c1ccccc1c1ccccc21.CN1c2ccccc2N(c2ccccc2)c2c1ccc1ccccc21.CN1c2ccccc2N(c2ccccc2)c2ccccc21.Cn1c2ccccc2c(=O)c2ccc3c(c21)C(=O)c1ccccc1C3=O.
What is the InChIKey of 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine?
The InChIKey is SURQRZPEDRYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H20N2.C23H18N2.C22H13NO3.C19H16N2.C14H14N2/c1-28-24-17-9-10-18-25(24)29(19-11-3-2-4-12-19)27-23-16-8-6-14-21(23)20-13-5-7-15-22(20)26(27)28;1-28-24-16-15-19-9-7-8-14-23(19)27(24)29(22-12-3-2-4-13-22)26-18-21-11-6-5-10-20(21)17-25(26)28;1-24-20-13-7-8-14-21(20)25(18-10-3-2-4-11-18)23-19-12-6-5-9-17(19)15-16-22(23)24;1-23-17-9-5-4-8-14(17)21(25)16-11-10-15-18(19(16)23)22(26)13-7-3-2-6-12(13)20(15)24;1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-15-11-7-3-5-9-13(11)16(2)14-10-6-4-8-12(14)15/h2*2-18H,1H3;2-16H,1H3;2-11H,1H3;2-14H,1H3;3-10H,1-2H3.
What are the key properties of 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine?
5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine has a molecular weight of 1889.33 g/mol, XLogP of 33.72, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethylphenazine;13-methylnaphtho[2,3-c]acridine-5,8,14-trione;7-methyl-12-phenylbenzo[a]phenazine;13-methyl-2-phenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene;14-methyl-9-phenylphenanthro[9,10-b]quinoxaline;5-methyl-10-phenylphenazine is sourced from PubChem (CID 160942577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).