(1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate

C153H154N4O9 — CID 159752694

About (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate

(1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate (PubChem CID 159752694) has the molecular formula C153H154N4O9 and a molecular weight of 2192.93 g/mol. Its IUPAC name is (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate.

Molecular Properties

• Compound Name: (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate
• PubChem CID: 159752694
• Molecular Formula: C153H154N4O9
• Molecular Weight: 2192.93 g/mol
• Exact Mass: 2191.17
• IUPAC Name: (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate
• SMILES: CCCCC1(OC(=O)OCCCCc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2CCCCOC(=O)OC2(CCCC)CCCC2)CCCC1.CCCCC1(OC(=O)OCCCCc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)CCCC1
• InChI: InChI=1S/C88H92N2O6.C65H62N2O3/c1-3-5-57-87(59-21-22-60-87)95-85(91)93-63-25-19-35-75-65-81(89(77-45-37-71(38-46-77)67-27-11-7-12-28-67)78-47-39-72(40-48-78)68-29-13-8-14-30-68)53-55-83(75)84-56-54-82(66-76(84)36-20-26-64-94-86(92)96-88(58-6-4-2)61-23-24-62-88)90(79-49-41-73(42-50-79)69-31-15-9-16-32-69)80-51-43-74(44-52-80)70-33-17-10-18-34-70;1-4-5-39-65(40-17-18-41-65)70-63(68)69-42-19-16-22-48-43-52(34-36-54(48)49-31-38-62-58(44-49)57-26-13-15-28-61(57)67(62)50-23-10-7-11-24-50)66(51-32-29-47(30-33-51)46-20-8-6-9-21-46)53-35-37-56-55-25-12-14-27-59(55)64(2,3)60(56)45-53/h7-18,27-34,37-56,65-66H,3-6,19-26,35-36,57-64H2,1-2H3;6-15,20-21,23-38,43-45H,4-5,16-19,22,39-42H2,1-3H3
• InChIKey: NDVREMSSRCTJIG-UHFFFAOYSA-N
• XLogP: 42.79
• TPSA: 121.24 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 44
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.93
LogP ≤ 5	42.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate?

The IUPAC name of (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate (CID 159752694) is (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate.

What is the SMILES notation for (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate?

The canonical SMILES for (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate is CCCCC1(OC(=O)OCCCCc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2CCCCOC(=O)OC2(CCCC)CCCC2)CCCC1.CCCCC1(OC(=O)OCCCCc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)CCCC1.

What is the InChIKey of (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate?

The InChIKey is NDVREMSSRCTJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H92N2O6.C65H62N2O3/c1-3-5-57-87(59-21-22-60-87)95-85(91)93-63-25-19-35-75-65-81(89(77-45-37-71(38-46-77)67-27-11-7-12-28-67)78-47-39-72(40-48-78)68-29-13-8-14-30-68)53-55-83(75)84-56-54-82(66-76(84)36-20-26-64-94-86(92)96-88(58-6-4-2)61-23-24-62-88)90(79-49-41-73(42-50-79)69-31-15-9-16-32-69)80-51-43-74(44-52-80)70-33-17-10-18-34-70;1-4-5-39-65(40-17-18-41-65)70-63(68)69-42-19-16-22-48-43-52(34-36-54(48)49-31-38-62-58(44-49)57-26-13-15-28-61(57)67(62)50-23-10-7-11-24-50)66(51-32-29-47(30-33-51)46-20-8-6-9-21-46)53-35-37-56-55-25-12-14-27-59(55)64(2,3)60(56)45-53/h7-18,27-34,37-56,65-66H,3-6,19-26,35-36,57-64H2,1-2H3;6-15,20-21,23-38,43-45H,4-5,16-19,22,39-42H2,1-3H3.

What are the key properties of (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate?

(1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate has a molecular weight of 2192.93 g/mol, XLogP of 42.79, 44 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate is sourced from PubChem (CID 159752694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).