2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine

C152H149F3N8O8 — CID 161031970

IUPAC2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine
SMILESCC(C)N1c2ccc(-c3ccccc3OCc3ccccc3)cc2N(C(C)C)c2ccc(-c3ccccc3OCc3ccccc3)cc21.CCCCOc1ccccc1-c1ccc2c(c1)N(CCCC)c1ccc(-c3ccccc3OCCCC)cc1N2CCCC.CCN1c2ccc(-c3ccccc3OC(F)(F)F)cc2N(CC)c2ccc(-c3ccccc3OC)cc21.CN1c2ccc(-c3ccccc3Oc3ccccc3)cc2N(C)c2ccc(-c3ccccc3Oc3ccccc3)cc21
InChIInChI=1S/C44H42N2O2.C40H50N2O2.C38H30N2O2.C30H27F3N2O2/c1-31(2)45-39-25-23-36(38-20-12-14-22-44(38)48-30-34-17-9-6-10-18-34)28-42(39)46(32(3)4)40-26-24-35(27-41(40)45)37-19-11-13-21-43(37)47-29-33-15-7-5-8-16-33;1-5-9-25-41-35-23-21-32(34-18-14-16-20-40(34)44-28-12-8-4)30-38(35)42(26-10-6-2)36-24-22-31(29-37(36)41)33-17-13-15-19-39(33)43-27-11-7-3;1-39-33-23-21-28(32-18-10-12-20-38(32)42-30-15-7-4-8-16-30)26-36(33)40(2)34-24-22-27(25-35(34)39)31-17-9-11-19-37(31)41-29-13-5-3-6-14-29;1-4-34-25-17-15-21(23-11-7-9-13-29(23)37-30(31,32)33)19-27(25)35(5-2)24-16-14-20(18-26(24)34)22-10-6-8-12-28(22)36-3/h5-28,31-32H,29-30H2,1-4H3;13-24,29-30H,5-12,25-28H2,1-4H3;3-26H,1-2H3;6-19H,4-5H2,1-3H3
InChIKeyTZSVVKMJFGBBEI-UHFFFAOYSA-N
MW2272.91 g/mol
LogP42.16
Rot. Bonds38

About 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine

2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine (PubChem CID 161031970) has the molecular formula C152H149F3N8O8 and a molecular weight of 2272.91 g/mol. Its IUPAC name is 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine.

Molecular Properties

Compound Name2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine
PubChem CID161031970
Molecular FormulaC152H149F3N8O8
Molecular Weight2272.91 g/mol
Exact Mass2271.15
IUPAC Name2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine
SMILESCC(C)N1c2ccc(-c3ccccc3OCc3ccccc3)cc2N(C(C)C)c2ccc(-c3ccccc3OCc3ccccc3)cc21.CCCCOc1ccccc1-c1ccc2c(c1)N(CCCC)c1ccc(-c3ccccc3OCCCC)cc1N2CCCC.CCN1c2ccc(-c3ccccc3OC(F)(F)F)cc2N(CC)c2ccc(-c3ccccc3OC)cc21.CN1c2ccc(-c3ccccc3Oc3ccccc3)cc2N(C)c2ccc(-c3ccccc3Oc3ccccc3)cc21
InChIInChI=1S/C44H42N2O2.C40H50N2O2.C38H30N2O2.C30H27F3N2O2/c1-31(2)45-39-25-23-36(38-20-12-14-22-44(38)48-30-34-17-9-6-10-18-34)28-42(39)46(32(3)4)40-26-24-35(27-41(40)45)37-19-11-13-21-43(37)47-29-33-15-7-5-8-16-33;1-5-9-25-41-35-23-21-32(34-18-14-16-20-40(34)44-28-12-8-4)30-38(35)42(26-10-6-2)36-24-22-31(29-37(36)41)33-17-13-15-19-39(33)43-27-11-7-3;1-39-33-23-21-28(32-18-10-12-20-38(32)42-30-15-7-4-8-16-30)26-36(33)40(2)34-24-22-27(25-35(34)39)31-17-9-11-19-37(31)41-29-13-5-3-6-14-29;1-4-34-25-17-15-21(23-11-7-9-13-29(23)37-30(31,32)33)19-27(25)35(5-2)24-16-14-20(18-26(24)34)22-10-6-8-12-28(22)36-3/h5-28,31-32H,29-30H2,1-4H3;13-24,29-30H,5-12,25-28H2,1-4H3;3-26H,1-2H3;6-19H,4-5H2,1-3H3
InChIKeyTZSVVKMJFGBBEI-UHFFFAOYSA-N
XLogP42.16
TPSA99.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002272.91
LogP ≤ 542.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine?
The IUPAC name of 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine (CID 161031970) is 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine.
What is the SMILES notation for 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine?
The canonical SMILES for 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine is CC(C)N1c2ccc(-c3ccccc3OCc3ccccc3)cc2N(C(C)C)c2ccc(-c3ccccc3OCc3ccccc3)cc21.CCCCOc1ccccc1-c1ccc2c(c1)N(CCCC)c1ccc(-c3ccccc3OCCCC)cc1N2CCCC.CCN1c2ccc(-c3ccccc3OC(F)(F)F)cc2N(CC)c2ccc(-c3ccccc3OC)cc21.CN1c2ccc(-c3ccccc3Oc3ccccc3)cc2N(C)c2ccc(-c3ccccc3Oc3ccccc3)cc21.
What is the InChIKey of 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine?
The InChIKey is TZSVVKMJFGBBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2O2.C40H50N2O2.C38H30N2O2.C30H27F3N2O2/c1-31(2)45-39-25-23-36(38-20-12-14-22-44(38)48-30-34-17-9-6-10-18-34)28-42(39)46(32(3)4)40-26-24-35(27-41(40)45)37-19-11-13-21-43(37)47-29-33-15-7-5-8-16-33;1-5-9-25-41-35-23-21-32(34-18-14-16-20-40(34)44-28-12-8-4)30-38(35)42(26-10-6-2)36-24-22-31(29-37(36)41)33-17-13-15-19-39(33)43-27-11-7-3;1-39-33-23-21-28(32-18-10-12-20-38(32)42-30-15-7-4-8-16-30)26-36(33)40(2)34-24-22-27(25-35(34)39)31-17-9-11-19-37(31)41-29-13-5-3-6-14-29;1-4-34-25-17-15-21(23-11-7-9-13-29(23)37-30(31,32)33)19-27(25)35(5-2)24-16-14-20(18-26(24)34)22-10-6-8-12-28(22)36-3/h5-28,31-32H,29-30H2,1-4H3;13-24,29-30H,5-12,25-28H2,1-4H3;3-26H,1-2H3;6-19H,4-5H2,1-3H3.
What are the key properties of 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine?
2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine has a molecular weight of 2272.91 g/mol, XLogP of 42.16, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine is sourced from PubChem (CID 161031970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).