10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene

C223H233N5O — CID 162146851

IUPAC10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.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(C)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C72H73NO.C44H52N2.C43H40N2.C24H28.C23H22.C17H18/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;1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-29-7-15-33(16-8-29)44(34-17-9-30(2)10-18-34)37-23-25-39-40-26-24-38(28-42(40)43(5,6)41(39)27-37)45(35-19-11-31(3)12-20-35)36-21-13-32(4)14-22-36;1-15-5-7-19-20-8-6-16(2)10-22(20)24-13-17(3)11-23(24,21(19)9-15)12-18(4)14-24;1-15-6-5-7-18(12-15)23(4)21-13-16(2)8-10-19(21)20-11-9-17(3)14-22(20)23;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h15-45H,1-14H3;13-28H,1-12H3;7-28H,1-6H3;5-10,17-18H,11-14H2,1-4H3;5-14H,1-4H3;5-10H,1-4H3
InChIKeyZKQYRRUPJIXBAV-UHFFFAOYSA-N
MW2999.35 g/mol
LogP63.18
Rot. Bonds20

About 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene

10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene (PubChem CID 162146851) has the molecular formula C223H233N5O and a molecular weight of 2999.35 g/mol. Its IUPAC name is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene.

Molecular Properties

Compound Name10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene
PubChem CID162146851
Molecular FormulaC223H233N5O
Molecular Weight2999.35 g/mol
Exact Mass2996.83
IUPAC Name10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.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(C)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C72H73NO.C44H52N2.C43H40N2.C24H28.C23H22.C17H18/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;1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-29-7-15-33(16-8-29)44(34-17-9-30(2)10-18-34)37-23-25-39-40-26-24-38(28-42(40)43(5,6)41(39)27-37)45(35-19-11-31(3)12-20-35)36-21-13-32(4)14-22-36;1-15-5-7-19-20-8-6-16(2)10-22(20)24-13-17(3)11-23(24,21(19)9-15)12-18(4)14-24;1-15-6-5-7-18(12-15)23(4)21-13-16(2)8-10-19(21)20-11-9-17(3)14-22(20)23;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h15-45H,1-14H3;13-28H,1-12H3;7-28H,1-6H3;5-10,17-18H,11-14H2,1-4H3;5-14H,1-4H3;5-10H,1-4H3
InChIKeyZKQYRRUPJIXBAV-UHFFFAOYSA-N
XLogP63.18
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms229
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002999.35
LogP ≤ 563.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene?
The IUPAC name of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene (CID 162146851) is 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene.
What is the SMILES notation for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene?
The canonical SMILES for 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C13CC(C)CC1(CC(C)C3)c1cc(C)ccc1-2.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(C)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;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene?
The InChIKey is ZKQYRRUPJIXBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H73NO.C44H52N2.C43H40N2.C24H28.C23H22.C17H18/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;1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-29-7-15-33(16-8-29)44(34-17-9-30(2)10-18-34)37-23-25-39-40-26-24-38(28-42(40)43(5,6)41(39)27-37)45(35-19-11-31(3)12-20-35)36-21-13-32(4)14-22-36;1-15-5-7-19-20-8-6-16(2)10-22(20)24-13-17(3)11-23(24,21(19)9-15)12-18(4)14-24;1-15-6-5-7-18(12-15)23(4)21-13-16(2)8-10-19(21)20-11-9-17(3)14-22(20)23;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11/h15-45H,1-14H3;13-28H,1-12H3;7-28H,1-6H3;5-10,17-18H,11-14H2,1-4H3;5-14H,1-4H3;5-10H,1-4H3.
What are the key properties of 10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene?
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-dimethylphenoxazine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene has a molecular weight of 2999.35 g/mol, XLogP of 63.18, 20 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;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;4,11,16,19-tetramethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2,7,9-trimethyl-9-(3-methylphenyl)fluorene is sourced from PubChem (CID 162146851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).