16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine

C205H211N3O — CID 158250325

About 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine

16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine (PubChem CID 158250325) has the molecular formula C205H211N3O and a molecular weight of 2732.96 g/mol. Its IUPAC name is 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine.

Molecular Properties

• Compound Name: 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine
• PubChem CID: 158250325
• Molecular Formula: C205H211N3O
• Molecular Weight: 2732.96 g/mol
• Exact Mass: 2730.66
• IUPAC Name: 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine
• SMILES: CCCCc1ccc(CC2CC34CC(Cc5ccc(CCCC)cc5)CC3(C2)c2cc(C)ccc2-c2ccc(C)cc24)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.Cc1ccc2c(c1)C13CCCC1(CCC3)c1cc(C)ccc1-2.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C
• InChI: InChI=1S/C44H52.C43H40N2.C35H36.C29H26.C22H24.C17H18.C15H15NO/c1-5-7-9-33-13-17-35(18-14-33)25-37-27-43-29-38(26-36-19-15-34(16-20-36)10-8-6-2)30-44(43,28-37)42-24-32(4)12-22-40(42)39-21-11-31(3)23-41(39)43;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;1-21-9-13-25-26-14-10-22(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;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-15-5-7-17-18-8-6-16(2)14-20(18)22-11-3-9-21(22,10-4-12-22)19(17)13-15;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h11-24,37-38H,5-10,25-30H2,1-4H3;7-28H,1-6H3;9-20H,1-8H3;5-18H,1-4H3;5-8,13-14H,3-4,9-12H2,1-2H3;5-10H,1-4H3;4-9H,1-3H3
• InChIKey: GGQAUISKLKSIDJ-UHFFFAOYSA-N
• XLogP: 54.76
• TPSA: 18.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2732.96
LogP ≤ 5	54.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine?

The IUPAC name of 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine (CID 158250325) is 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine.

What is the SMILES notation for 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine?

The canonical SMILES for 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine is CCCCc1ccc(CC2CC34CC(Cc5ccc(CCCC)cc5)CC3(C2)c2cc(C)ccc2-c2ccc(C)cc24)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.Cc1ccc2c(c1)C13CCCC1(CCC3)c1cc(C)ccc1-2.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.

What is the InChIKey of 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine?

The InChIKey is GGQAUISKLKSIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52.C43H40N2.C35H36.C29H26.C22H24.C17H18.C15H15NO/c1-5-7-9-33-13-17-35(18-14-33)25-37-27-43-29-38(26-36-19-15-34(16-20-36)10-8-6-2)30-44(43,28-37)42-24-32(4)12-22-40(42)39-21-11-31(3)23-41(39)43;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;1-21-9-13-25-26-14-10-22(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;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-15-5-7-17-18-8-6-16(2)14-20(18)22-11-3-9-21(22,10-4-12-22)19(17)13-15;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3/h11-24,37-38H,5-10,25-30H2,1-4H3;7-28H,1-6H3;9-20H,1-8H3;5-18H,1-4H3;5-8,13-14H,3-4,9-12H2,1-2H3;5-10H,1-4H3;4-9H,1-3H3.

What are the key properties of 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine?

16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine has a molecular weight of 2732.96 g/mol, XLogP of 54.76, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 16,19-bis[(4-butylphenyl)methyl]-4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;2',7'-ditert-butyl-2,7-dimethyl-9,9'-spirobi[fluorene];2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;4,11-dimethylpentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;2,7,9,9-tetramethylfluorene;3,7,10-trimethylphenoxazine is sourced from PubChem (CID 158250325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).