3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine

C83H72N14O5 — CID 163635300

IUPAC3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine
SMILESCC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1N2c1c2cccnc2nc2ncccc12.CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1N2c1c2cccnc2nc2ncccc12.COc1ccc2c(c1)Oc1cc(OC)ccc1N2c1c2cccnc2nc2ncccc12
InChIInChI=1S/C31H30N4O.C27H24N6O.C25H18N4O3/c1-30(2,3)19-11-13-23-25(17-19)36-26-18-20(31(4,5)6)12-14-24(26)35(23)27-21-9-7-15-32-28(21)34-29-22(27)10-8-16-33-29;1-31(2)17-9-11-21-23(15-17)34-24-16-18(32(3)4)10-12-22(24)33(21)25-19-7-5-13-28-26(19)30-27-20(25)8-6-14-29-27;1-30-15-7-9-19-21(13-15)32-22-14-16(31-2)8-10-20(22)29(19)23-17-5-3-11-26-24(17)28-25-18(23)6-4-12-27-25/h7-18H,1-6H3;5-16H,1-4H3;3-14H,1-2H3
InChIKeyHZOPTYZMHUTAJD-UHFFFAOYSA-N
MW1345.58 g/mol
LogP20.00
Rot. Bonds7

About 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine

3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine (PubChem CID 163635300) has the molecular formula C83H72N14O5 and a molecular weight of 1345.58 g/mol. Its IUPAC name is 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine.

Molecular Properties

Compound Name3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine
PubChem CID163635300
Molecular FormulaC83H72N14O5
Molecular Weight1345.58 g/mol
Exact Mass1344.58
IUPAC Name3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine
SMILESCC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1N2c1c2cccnc2nc2ncccc12.CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1N2c1c2cccnc2nc2ncccc12.COc1ccc2c(c1)Oc1cc(OC)ccc1N2c1c2cccnc2nc2ncccc12
InChIInChI=1S/C31H30N4O.C27H24N6O.C25H18N4O3/c1-30(2,3)19-11-13-23-25(17-19)36-26-18-20(31(4,5)6)12-14-24(26)35(23)27-21-9-7-15-32-28(21)34-29-22(27)10-8-16-33-29;1-31(2)17-9-11-21-23(15-17)34-24-16-18(32(3)4)10-12-22(24)33(21)25-19-7-5-13-28-26(19)30-27-20(25)8-6-14-29-27;1-30-15-7-9-19-21(13-15)32-22-14-16(31-2)8-10-20(22)29(19)23-17-5-3-11-26-24(17)28-25-18(23)6-4-12-27-25/h7-18H,1-6H3;5-16H,1-4H3;3-14H,1-2H3
InChIKeyHZOPTYZMHUTAJD-UHFFFAOYSA-N
XLogP20.00
TPSA178.36 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.58
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine?
The IUPAC name of 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine (CID 163635300) is 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine.
What is the SMILES notation for 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine?
The canonical SMILES for 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine is CC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1N2c1c2cccnc2nc2ncccc12.CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1N2c1c2cccnc2nc2ncccc12.COc1ccc2c(c1)Oc1cc(OC)ccc1N2c1c2cccnc2nc2ncccc12.
What is the InChIKey of 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine?
The InChIKey is HZOPTYZMHUTAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O.C27H24N6O.C25H18N4O3/c1-30(2,3)19-11-13-23-25(17-19)36-26-18-20(31(4,5)6)12-14-24(26)35(23)27-21-9-7-15-32-28(21)34-29-22(27)10-8-16-33-29;1-31(2)17-9-11-21-23(15-17)34-24-16-18(32(3)4)10-12-22(24)33(21)25-19-7-5-13-28-26(19)30-27-20(25)8-6-14-29-27;1-30-15-7-9-19-21(13-15)32-22-14-16(31-2)8-10-20(22)29(19)23-17-5-3-11-26-24(17)28-25-18(23)6-4-12-27-25/h7-18H,1-6H3;5-16H,1-4H3;3-14H,1-2H3.
What are the key properties of 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine?
3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine has a molecular weight of 1345.58 g/mol, XLogP of 20.00, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-ditert-butyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3,7-dimethoxy-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine;3-N,3-N,7-N,7-N-tetramethyl-10-pyrido[2,3-b][1,8]naphthyridin-5-ylphenoxazine-3,7-diamine is sourced from PubChem (CID 163635300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).