5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

C237H160N8O2 — CID 160662671

About 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (PubChem CID 160662671) has the molecular formula C237H160N8O2 and a molecular weight of 3151.94 g/mol. Its IUPAC name is 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

Molecular Properties

• Compound Name: 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
• PubChem CID: 160662671
• Molecular Formula: C237H160N8O2
• Molecular Weight: 3151.94 g/mol
• Exact Mass: 3149.27
• IUPAC Name: 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C(c3ccccc3)(c3ccccc3)c3c-5c4ccccc4c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21.c1ccc(N(c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc23)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C85H56N4.C79H58N2.C73H46N2O2/c1-7-25-59(26-8-1)85(60-27-9-2-10-28-60)78-53-58-51-65(86(61-29-11-3-12-30-61)67-46-49-81-75(55-67)70-38-21-23-41-79(70)88(81)63-33-15-5-16-34-63)44-43-57(58)52-77(78)83-72-40-20-19-37-69(72)74-54-66(45-48-73(74)84(83)85)87(62-31-13-4-14-32-62)68-47-50-82-76(56-68)71-39-22-24-42-80(71)89(82)64-35-17-6-18-36-64;1-77(2)70-35-21-19-32-62(70)64-42-39-59(49-72(64)77)80(55-27-13-7-14-28-55)57-38-37-51-46-69-74(47-52(51)45-57)79(53-23-9-5-10-24-53,54-25-11-6-12-26-54)76-67-44-41-58(48-68(67)61-31-17-18-34-66(61)75(69)76)81(56-29-15-8-16-30-56)60-40-43-65-63-33-20-22-36-71(63)78(3,4)73(65)50-60;1-5-21-49(22-6-1)73(50-23-7-2-8-24-50)64-45-48-43-53(74(51-25-9-3-10-26-51)65-35-19-33-60-56-30-15-17-37-67(56)76-71(60)65)40-39-47(48)44-63(64)69-58-32-14-13-29-55(58)62-46-54(41-42-59(62)70(69)73)75(52-27-11-4-12-28-52)66-36-20-34-61-57-31-16-18-38-68(57)77-72(61)66/h1-56H;5-50H,1-4H3;1-46H
• InChIKey: RLWPLHHDVVVCPA-UHFFFAOYSA-N
• XLogP: 63.95
• TPSA: 55.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3151.94
LogP ≤ 5	63.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

The IUPAC name of 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (CID 160662671) is 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

What is the SMILES notation for 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

The canonical SMILES for 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C(c3ccccc3)(c3ccccc3)c3c-5c4ccccc4c4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21.c1ccc(N(c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2c-4c3ccccc3c3cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc23)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

The InChIKey is RLWPLHHDVVVCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H56N4.C79H58N2.C73H46N2O2/c1-7-25-59(26-8-1)85(60-27-9-2-10-28-60)78-53-58-51-65(86(61-29-11-3-12-30-61)67-46-49-81-75(55-67)70-38-21-23-41-79(70)88(81)63-33-15-5-16-34-63)44-43-57(58)52-77(78)83-72-40-20-19-37-69(72)74-54-66(45-48-73(74)84(83)85)87(62-31-13-4-14-32-62)68-47-50-82-76(56-68)71-39-22-24-42-80(71)89(82)64-35-17-6-18-36-64;1-77(2)70-35-21-19-32-62(70)64-42-39-59(49-72(64)77)80(55-27-13-7-14-28-55)57-38-37-51-46-69-74(47-52(51)45-57)79(53-23-9-5-10-24-53,54-25-11-6-12-26-54)76-67-44-41-58(48-68(67)61-31-17-18-34-66(61)75(69)76)81(56-29-15-8-16-30-56)60-40-43-65-63-33-20-22-36-71(63)78(3,4)73(65)50-60;1-5-21-49(22-6-1)73(50-23-7-2-8-24-50)64-45-48-43-53(74(51-25-9-3-10-26-51)65-35-19-33-60-56-30-15-17-37-67(56)76-71(60)65)40-39-47(48)44-63(64)69-58-32-14-13-29-55(58)62-46-54(41-42-59(62)70(69)73)75(52-27-11-4-12-28-52)66-36-20-34-61-57-31-16-18-38-68(57)77-72(61)66/h1-56H;5-50H,1-4H3;1-46H.

What are the key properties of 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine has a molecular weight of 3151.94 g/mol, XLogP of 63.95, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,20-N-bis(9,9-dimethylfluoren-2-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(9-phenylcarbazol-3-yl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is sourced from PubChem (CID 160662671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).