10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine

C187H187N5O5 — CID 159248075

IUPAC10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine
SMILESCCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)cc(N3c4ccc(C)cc4Oc4cc(C)ccc43)c2)c1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cc(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C72H73NO.C40H41NO.C36H33NO.C24H25NO.C15H15NO/c1-46-15-33-65-67(35-46)74-68-36-47(2)16-34-66(68)73(65)64-44-58(56-39-52(48-17-25-60(26-18-48)69(3,4)5)37-53(40-56)49-19-27-61(28-20-49)70(6,7)8)43-59(45-64)57-41-54(50-21-29-62(30-22-50)71(9,10)11)38-55(42-57)51-23-31-63(32-24-51)72(12,13)14;1-26-9-19-35-37(21-26)42-38-22-27(2)10-20-36(38)41(35)34-24-30(28-11-15-32(16-12-28)39(3,4)5)23-31(25-34)29-13-17-33(18-14-29)40(6,7)8;1-22-7-9-33-35(17-22)38-36-18-23(2)8-10-34(36)37(33)32-20-30(28-13-24(3)11-25(4)14-28)19-31(21-32)29-15-26(5)12-27(6)16-29;1-4-5-6-19-9-11-20(12-10-19)25-21-13-7-17(2)15-23(21)26-24-16-18(3)8-14-22(24)25;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h15-45H,1-14H3;9-25H,1-8H3;7-21H,1-6H3;7-16H,4-6H2,1-3H3;4-9H,1-3H3
InChIKeyKUXWEXPBDPMBIL-UHFFFAOYSA-N
MW2584.58 g/mol
LogP54.72
Rot. Bonds17

About 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine

10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine (PubChem CID 159248075) has the molecular formula C187H187N5O5 and a molecular weight of 2584.58 g/mol. Its IUPAC name is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine.

Molecular Properties

Compound Name10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine
PubChem CID159248075
Molecular FormulaC187H187N5O5
Molecular Weight2584.58 g/mol
Exact Mass2582.45
IUPAC Name10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine
SMILESCCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)cc(N3c4ccc(C)cc4Oc4cc(C)ccc43)c2)c1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cc(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C72H73NO.C40H41NO.C36H33NO.C24H25NO.C15H15NO/c1-46-15-33-65-67(35-46)74-68-36-47(2)16-34-66(68)73(65)64-44-58(56-39-52(48-17-25-60(26-18-48)69(3,4)5)37-53(40-56)49-19-27-61(28-20-49)70(6,7)8)43-59(45-64)57-41-54(50-21-29-62(30-22-50)71(9,10)11)38-55(42-57)51-23-31-63(32-24-51)72(12,13)14;1-26-9-19-35-37(21-26)42-38-22-27(2)10-20-36(38)41(35)34-24-30(28-11-15-32(16-12-28)39(3,4)5)23-31(25-34)29-13-17-33(18-14-29)40(6,7)8;1-22-7-9-33-35(17-22)38-36-18-23(2)8-10-34(36)37(33)32-20-30(28-13-24(3)11-25(4)14-28)19-31(21-32)29-15-26(5)12-27(6)16-29;1-4-5-6-19-9-11-20(12-10-19)25-21-13-7-17(2)15-23(21)26-24-16-18(3)8-14-22(24)25;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h15-45H,1-14H3;9-25H,1-8H3;7-21H,1-6H3;7-16H,4-6H2,1-3H3;4-9H,1-3H3
InChIKeyKUXWEXPBDPMBIL-UHFFFAOYSA-N
XLogP54.72
TPSA62.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms197
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002584.58
LogP ≤ 554.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[3,5-bis[3,5-bis(4-pentylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine
CID 122546405
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-bis(2-methylhexan-2-yl)phenoxazine
CID 145332600
3-(4-tert-butylphenyl)-10-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-7-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenoxazine
CID 58556195
10-[3,5-bis(4-methylphenyl)phenyl]phenoxazine;10-[3,5-bis(4-pentylphenyl)phenyl]phenoxazine
CID 123712674
10-(4-butylphenyl)-3-methyl-7-pentan-2-ylphenoxazine
CID 70348621
10-[3,5-bis(3-butyl-5-methylphenyl)phenyl]phenoxazine
CID 58251245
3-tert-butyl-10-(4-butylphenyl)-7-hept-1-en-2-ylphenoxazine
CID 89195168
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
10-(3-hexylphenyl)-3,7-dimethylphenoxazine
CID 140565835
4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene
CID 158206312
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7,9,9-tetramethylfluorene;bis(4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene)
CID 158502720
10-[3-(3,5-dihexylphenyl)-5-(3-hexyl-5-methylphenyl)phenyl]-3,7-dimethylphenothiazine
CID 134368350

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine?
The IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine (CID 159248075) is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine.
What is the SMILES notation for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine?
The canonical SMILES for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine is CCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1.Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)cc(N3c4ccc(C)cc4Oc4cc(C)ccc43)c2)c1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cc(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine?
The InChIKey is KUXWEXPBDPMBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H73NO.C40H41NO.C36H33NO.C24H25NO.C15H15NO/c1-46-15-33-65-67(35-46)74-68-36-47(2)16-34-66(68)73(65)64-44-58(56-39-52(48-17-25-60(26-18-48)69(3,4)5)37-53(40-56)49-19-27-61(28-20-49)70(6,7)8)43-59(45-64)57-41-54(50-21-29-62(30-22-50)71(9,10)11)38-55(42-57)51-23-31-63(32-24-51)72(12,13)14;1-26-9-19-35-37(21-26)42-38-22-27(2)10-20-36(38)41(35)34-24-30(28-11-15-32(16-12-28)39(3,4)5)23-31(25-34)29-13-17-33(18-14-29)40(6,7)8;1-22-7-9-33-35(17-22)38-36-18-23(2)8-10-34(36)37(33)32-20-30(28-13-24(3)11-25(4)14-28)19-31(21-32)29-15-26(5)12-27(6)16-29;1-4-5-6-19-9-11-20(12-10-19)25-21-13-7-17(2)15-23(21)26-24-16-18(3)8-14-22(24)25;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h15-45H,1-14H3;9-25H,1-8H3;7-21H,1-6H3;7-16H,4-6H2,1-3H3;4-9H,1-3H3.
What are the key properties of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine?
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine has a molecular weight of 2584.58 g/mol, XLogP of 54.72, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylphenoxazine;10-[3,5-bis(3,5-dimethylphenyl)phenyl]-3,7-dimethylphenoxazine;10-(4-butylphenyl)-3,7-dimethylphenoxazine;3,7,10-trimethylphenoxazine is sourced from PubChem (CID 159248075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).