(4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene

C277H318F6Fe10N10O7 — CID 162274720

About (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene

(4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 162274720) has the molecular formula C277H318F6Fe10N10O7 and a molecular weight of 4572.09 g/mol. Its IUPAC name is (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

• Compound Name: (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
• PubChem CID: 162274720
• Molecular Formula: C277H318F6Fe10N10O7
• Molecular Weight: 4572.09 g/mol
• Exact Mass: 4569.82
• IUPAC Name: (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
• SMILES: CC(C)(C)C1CC(c2ccccc2)C(c2ccccc2)C1.CC1C(C)C(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C.CC1C(C)C(c2ccccc2)C(C(C)(C)Cc2ccc[nH]2)C1C.CC1C(C)C2C=CC=CC2C1C.CC1C2C=CC=CC2C2C=CC=CC12.COc1cc(OC)cc(C2C(C)C(C)C(C)C2C)c1.COc1ccc(C2C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1.Cc1c[nH]c2ccccc12.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].c1cc2c([nH]1)CCCC2.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C3CCCCC3C3CCCCC32)cc1
• InChI: InChI=1S/C40H40O5.2C35H30.C22H31N.C21H26.C19H26.C17H20F6.C17H26O2.C14H16.C12H18.C9H9N.C8H11N.7C4H5N.10Fe/c1-41-31-16-6-26(7-17-31)36-37(27-8-18-32(42-2)19-9-27)39(29-12-22-34(44-4)23-13-29)40(30-14-24-35(45-5)25-15-30)38(36)28-10-20-33(43-3)21-11-28;2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-15-16(2)20(18-10-7-6-8-11-18)21(17(15)3)22(4,5)14-19-12-9-13-23-19;1-21(2,3)18-14-19(16-10-6-4-7-11-16)20(15-18)17-12-8-5-9-13-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-8-9(2)11(4)15(10(8)3)12-5-13(16(18,19)20)7-14(6-12)17(21,22)23;1-10-11(2)13(4)17(12(10)3)14-7-15(18-5)9-16(8-14)19-6;1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;1-8-9(2)11-6-4-5-7-12(11)10(8)3;1-7-6-10-9-5-3-2-4-8(7)9;1-2-4-8-7(3-1)5-6-9-8;7*1-2-4-5-3-1;;;;;;;;;;/h6-25,36-40H,1-5H3;2*1-25,31-35H;6-13,15-17,20-21,23H,14H2,1-5H3;4-13,18-20H,14-15H2,1-3H3;1-3,8-9,15-19H,4-7,10-13H2;5-11,15H,1-4H3;7-13,17H,1-6H3;2-14H,1H3;4-12H,1-3H3;2-6,10H,1H3;5-6,9H,1-4H2;7*1-5H
• InChIKey: KICBGHBDGXNKGB-UHFFFAOYSA-N
• XLogP: 72.89
• TPSA: 222.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 7
• Rotatable Bonds: 31
• Heavy Atoms: 310
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4572.09
LogP ≤ 5	72.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?

The IUPAC name of (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene (CID 162274720) is (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene.

What is the SMILES notation for (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?

The canonical SMILES for (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene is CC(C)(C)C1CC(c2ccccc2)C(c2ccccc2)C1.CC1C(C)C(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C.CC1C(C)C(c2ccccc2)C(C(C)(C)Cc2ccc[nH]2)C1C.CC1C(C)C2C=CC=CC2C1C.CC1C2C=CC=CC2C2C=CC=CC12.COc1cc(OC)cc(C2C(C)C(C)C(C)C2C)c1.COc1ccc(C2C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1.Cc1c[nH]c2ccccc12.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].c1cc2c([nH]1)CCCC2.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C3CCCCC3C3CCCCC32)cc1.

What is the InChIKey of (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?

The InChIKey is KICBGHBDGXNKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40O5.2C35H30.C22H31N.C21H26.C19H26.C17H20F6.C17H26O2.C14H16.C12H18.C9H9N.C8H11N.7C4H5N.10Fe/c1-41-31-16-6-26(7-17-31)36-37(27-8-18-32(42-2)19-9-27)39(29-12-22-34(44-4)23-13-29)40(30-14-24-35(45-5)25-15-30)38(36)28-10-20-33(43-3)21-11-28;2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-15-16(2)20(18-10-7-6-8-11-18)21(17(15)3)22(4,5)14-19-12-9-13-23-19;1-21(2,3)18-14-19(16-10-6-4-7-11-16)20(15-18)17-12-8-5-9-13-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-8-9(2)11(4)15(10(8)3)12-5-13(16(18,19)20)7-14(6-12)17(21,22)23;1-10-11(2)13(4)17(12(10)3)14-7-15(18-5)9-16(8-14)19-6;1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;1-8-9(2)11-6-4-5-7-12(11)10(8)3;1-7-6-10-9-5-3-2-4-8(7)9;1-2-4-8-7(3-1)5-6-9-8;7*1-2-4-5-3-1;;;;;;;;;;/h6-25,36-40H,1-5H3;2*1-25,31-35H;6-13,15-17,20-21,23H,14H2,1-5H3;4-13,18-20H,14-15H2,1-3H3;1-3,8-9,15-19H,4-7,10-13H2;5-11,15H,1-4H3;7-13,17H,1-6H3;2-14H,1H3;4-12H,1-3H3;2-6,10H,1H3;5-6,9H,1-4H2;7*1-5H;;;;;;;;;;.

What are the key properties of (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene?

(4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 4572.09 g/mol, XLogP of 72.89, 31 rotatable bonds, 10 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 162274720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).