10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene

C267H279N5O — CID 157113684

About 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene

10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene (PubChem CID 157113684) has the molecular formula C267H279N5O and a molecular weight of 3574.20 g/mol. Its IUPAC name is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene.

Molecular Properties

• Compound Name: 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene
• PubChem CID: 157113684
• Molecular Formula: C267H279N5O
• Molecular Weight: 3574.20 g/mol
• Exact Mass: 3571.19
• IUPAC Name: 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene
• SMILES: Cc1ccc(C2(C)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc(N(c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)ccc2-3)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.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.Cc1cccc(C2(c3cccc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
• InChI: InChI=1S/C72H73NO.C58H66N2.C50H56N2.C35H36.C29H26.C23H22/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;1-37-15-19-45(20-16-37)59(53-39(3)31-43(32-40(53)4)55(7,8)9)47-23-25-49-50-26-24-48(36-52(50)58-29-13-27-57(58,28-14-30-58)51(49)35-47)60(46-21-17-38(2)18-22-46)54-41(5)33-44(34-42(54)6)56(10,11)12;1-33-13-21-43(22-14-33)51(47-35(3)29-41(30-36(47)4)49(7,8)9)45-25-17-39(18-26-45)40-19-27-46(28-20-40)52(44-23-15-34(2)16-24-44)48-37(5)31-42(32-38(48)6)50(10,11)12;1-21-9-13-25-26-14-10-22(2)18-30(26)35(29(25)17-21)31-19-23(33(3,4)5)11-15-27(31)28-16-12-24(20-32(28)35)34(6,7)8;1-19-7-5-9-23(15-19)29(24-10-6-8-20(2)16-24)27-17-21(3)11-13-25(27)26-14-12-22(4)18-28(26)29;1-15-5-9-18(10-6-15)23(4)21-13-16(2)7-11-19(21)20-12-8-17(3)14-22(20)23/h15-45H,1-14H3;15-26,31-36H,13-14,27-30H2,1-12H3;13-32H,1-12H3;9-20H,1-8H3;5-18H,1-4H3;5-14H,1-4H3
• InChIKey: AHDJHCFHIFCENL-UHFFFAOYSA-N
• XLogP: 74.88
• TPSA: 25.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 23
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3574.20
LogP ≤ 5	74.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene?

The IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene (CID 157113684) is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene.

What is the SMILES notation for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene?

The canonical SMILES for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene is Cc1ccc(C2(C)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc(N(c2ccc3c(c2)C24CCCC2(CCC4)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)ccc2-3)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.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.Cc1cccc(C2(c3cccc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.

What is the InChIKey of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene?

The InChIKey is AHDJHCFHIFCENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H73NO.C58H66N2.C50H56N2.C35H36.C29H26.C23H22/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;1-37-15-19-45(20-16-37)59(53-39(3)31-43(32-40(53)4)55(7,8)9)47-23-25-49-50-26-24-48(36-52(50)58-29-13-27-57(58,28-14-30-58)51(49)35-47)60(46-21-17-38(2)18-22-46)54-41(5)33-44(34-42(54)6)56(10,11)12;1-33-13-21-43(22-14-33)51(47-35(3)29-41(30-36(47)4)49(7,8)9)45-25-17-39(18-26-45)40-19-27-46(28-20-40)52(44-23-15-34(2)16-24-44)48-37(5)31-42(32-38(48)6)50(10,11)12;1-21-9-13-25-26-14-10-22(2)18-30(26)35(29(25)17-21)31-19-23(33(3,4)5)11-15-27(31)28-16-12-24(20-32(28)35)34(6,7)8;1-19-7-5-9-23(15-19)29(24-10-6-8-20(2)16-24)27-17-21(3)11-13-25(27)26-14-12-22(4)18-28(26)29;1-15-5-9-18(10-6-15)23(4)21-13-16(2)7-11-19(21)20-12-8-17(3)14-22(20)23/h15-45H,1-14H3;15-26,31-36H,13-14,27-30H2,1-12H3;13-32H,1-12H3;9-20H,1-8H3;5-18H,1-4H3;5-14H,1-4H3.

What are the key properties of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene?

10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene has a molecular weight of 3574.20 g/mol, XLogP of 74.88, 23 rotatable bonds, 0 hydrogen bond donors, and 6 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;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;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene is sourced from PubChem (CID 157113684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).