10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine

C210H171N23O4 — CID 157155680

IUPAC10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine
SMILESCC(C)(C)c1ccc(N(c2ccc(C3=NC4=NC(c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)=NC5=NC(c6ccc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)cc6)=NC(=N3)N45)cc2)c2ccc(C(C)(C)C)cc2)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)nnc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc2c(c1)Cc1ccccc1N2c1ccc2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3nccnc3c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1cc(N3c4ccccc4Oc4ccccc43)ccc1c1nccnc21
InChIInChI=1S/C84H90N10.C45H31N5O.C41H26N4O.C40H24N4O2/c1-79(2,3)58-25-43-67(44-26-58)91(68-45-27-59(28-46-68)80(4,5)6)64-37-19-55(20-38-64)73-85-76-87-74(56-21-39-65(40-22-56)92(69-47-29-60(30-48-69)81(7,8)9)70-49-31-61(32-50-70)82(10,11)12)89-78-90-75(88-77(86-73)94(76)78)57-23-41-66(42-24-57)93(71-51-33-62(34-52-71)83(13,14)15)72-53-35-63(36-54-72)84(16,17)18;1-2-14-35(15-3-1)50-44(31-22-26-36(27-23-31)48-38-16-6-4-12-33(38)30-34-13-5-7-17-39(34)48)46-47-45(50)32-24-28-37(29-25-32)49-40-18-8-10-20-42(40)51-43-21-11-9-19-41(43)49;1-3-11-34-26(9-1)23-27-10-2-4-12-35(27)44(34)28-17-19-30-31-20-18-29(25-33(31)41-40(32(30)24-28)42-21-22-43-41)45-36-13-5-7-15-38(36)46-39-16-8-6-14-37(39)45;1-5-13-35-31(9-1)43(32-10-2-6-14-36(32)45-35)25-17-19-27-29(23-25)30-24-26(18-20-28(30)40-39(27)41-21-22-42-40)44-33-11-3-7-15-37(33)46-38-16-8-4-12-34(38)44/h19-54H,1-18H3;1-29H,30H2;1-22,24-25H,23H2;1-24H
InChIKeyALTVQKOSXWCBNZ-UHFFFAOYSA-N
MW3080.83 g/mol
LogP55.46
Rot. Bonds21

About 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine

10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine (PubChem CID 157155680) has the molecular formula C210H171N23O4 and a molecular weight of 3080.83 g/mol. Its IUPAC name is 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine.

Molecular Properties

Compound Name10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine
PubChem CID157155680
Molecular FormulaC210H171N23O4
Molecular Weight3080.83 g/mol
Exact Mass3078.39
IUPAC Name10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine
SMILESCC(C)(C)c1ccc(N(c2ccc(C3=NC4=NC(c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)=NC5=NC(c6ccc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)cc6)=NC(=N3)N45)cc2)c2ccc(C(C)(C)C)cc2)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)nnc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc2c(c1)Cc1ccccc1N2c1ccc2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3nccnc3c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1cc(N3c4ccccc4Oc4ccccc43)ccc1c1nccnc21
InChIInChI=1S/C84H90N10.C45H31N5O.C41H26N4O.C40H24N4O2/c1-79(2,3)58-25-43-67(44-26-58)91(68-45-27-59(28-46-68)80(4,5)6)64-37-19-55(20-38-64)73-85-76-87-74(56-21-39-65(40-22-56)92(69-47-29-60(30-48-69)81(7,8)9)70-49-31-61(32-50-70)82(10,11)12)89-78-90-75(88-77(86-73)94(76)78)57-23-41-66(42-24-57)93(71-51-33-62(34-52-71)83(13,14)15)72-53-35-63(36-54-72)84(16,17)18;1-2-14-35(15-3-1)50-44(31-22-26-36(27-23-31)48-38-16-6-4-12-33(38)30-34-13-5-7-17-39(34)48)46-47-45(50)32-24-28-37(29-25-32)49-40-18-8-10-20-42(40)51-43-21-11-9-19-41(43)49;1-3-11-34-26(9-1)23-27-10-2-4-12-35(27)44(34)28-17-19-30-31-20-18-29(25-33(31)41-40(32(30)24-28)42-21-22-43-41)45-36-13-5-7-15-38(36)46-39-16-8-6-14-37(39)45;1-5-13-35-31(9-1)43(32-10-2-6-14-36(32)45-35)25-17-19-27-29(23-25)30-24-26(18-20-28(30)40-39(27)41-21-22-42-40)44-33-11-3-7-15-37(33)46-38-16-8-4-12-34(38)44/h19-54H,1-18H3;1-29H,30H2;1-22,24-25H,23H2;1-24H
InChIKeyALTVQKOSXWCBNZ-UHFFFAOYSA-N
XLogP55.46
TPSA225.75 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003080.83
LogP ≤ 555.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine?
The IUPAC name of 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine (CID 157155680) is 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine.
What is the SMILES notation for 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine?
The canonical SMILES for 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine is CC(C)(C)c1ccc(N(c2ccc(C3=NC4=NC(c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5)=NC5=NC(c6ccc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)cc6)=NC(=N3)N45)cc2)c2ccc(C(C)(C)C)cc2)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)nnc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc2c(c1)Cc1ccccc1N2c1ccc2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3nccnc3c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1cc(N3c4ccccc4Oc4ccccc43)ccc1c1nccnc21.
What is the InChIKey of 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine?
The InChIKey is ALTVQKOSXWCBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H90N10.C45H31N5O.C41H26N4O.C40H24N4O2/c1-79(2,3)58-25-43-67(44-26-58)91(68-45-27-59(28-46-68)80(4,5)6)64-37-19-55(20-38-64)73-85-76-87-74(56-21-39-65(40-22-56)92(69-47-29-60(30-48-69)81(7,8)9)70-49-31-61(32-50-70)82(10,11)12)89-78-90-75(88-77(86-73)94(76)78)57-23-41-66(42-24-57)93(71-51-33-62(34-52-71)83(13,14)15)72-53-35-63(36-54-72)84(16,17)18;1-2-14-35(15-3-1)50-44(31-22-26-36(27-23-31)48-38-16-6-4-12-33(38)30-34-13-5-7-17-39(34)48)46-47-45(50)32-24-28-37(29-25-32)49-40-18-8-10-20-42(40)51-43-21-11-9-19-41(43)49;1-3-11-34-26(9-1)23-27-10-2-4-12-35(27)44(34)28-17-19-30-31-20-18-29(25-33(31)41-40(32(30)24-28)42-21-22-43-41)45-36-13-5-7-15-38(36)46-39-16-8-6-14-37(39)45;1-5-13-35-31(9-1)43(32-10-2-6-14-36(32)45-35)25-17-19-27-29(23-25)30-24-26(18-20-28(30)40-39(27)41-21-22-42-40)44-33-11-3-7-15-37(33)46-38-16-8-4-12-34(38)44/h19-54H,1-18H3;1-29H,30H2;1-22,24-25H,23H2;1-24H.
What are the key properties of 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine?
10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine has a molecular weight of 3080.83 g/mol, XLogP of 55.46, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[11-(9H-acridin-10-yl)phenanthro[9,10-b]pyrazin-6-yl]phenoxazine;10-[4-[5-[4-(9H-acridin-10-yl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenoxazine;4-[7,11-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]-N,N-bis(4-tert-butylphenyl)aniline;10-(7-phenoxazin-10-ylphenanthro[9,10-b]pyrazin-10-yl)phenoxazine is sourced from PubChem (CID 157155680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).