N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine

C273H226N14 — CID 157412621

About N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine

N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine (PubChem CID 157412621) has the molecular formula C273H226N14 and a molecular weight of 3702.91 g/mol. Its IUPAC name is N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine.

Molecular Properties

• Compound Name: N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine
• PubChem CID: 157412621
• Molecular Formula: C273H226N14
• Molecular Weight: 3702.91 g/mol
• Exact Mass: 3699.81
• IUPAC Name: N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1cccc(N(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cc4)cc3)cc2)c2cccc(C)c2)c1.Cc1cccc(N(c2ccccc2)c2cc(C)c(N(c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)cc2C)c1.c1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c5cc(N(c6ccccc6)c6ccccc6)ccc5c5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3c2)cc1
• InChI: InChI=1S/C74H52N4.C72H60N2.C64H54N4.C63H60N4/c1-9-25-53(26-10-1)75(54-27-11-2-12-28-54)61-41-45-65-66-46-42-63(77(57-33-17-5-18-34-57)58-35-19-6-20-36-58)51-71(66)74-72-52-64(78(59-37-21-7-22-38-59)60-39-23-8-24-40-60)44-48-68(72)67-47-43-62(50-70(67)73(74)69(65)49-61)76(55-29-13-3-14-30-55)56-31-15-4-16-32-56;1-69(2)61-21-13-9-17-53(61)57-37-33-49(41-65(57)69)73(50-34-38-58-54-18-10-14-22-62(54)70(3,4)66(58)42-50)47-29-25-45(26-30-47)46-27-31-48(32-28-46)74(51-35-39-59-55-19-11-15-23-63(55)71(5,6)67(59)43-51)52-36-40-60-56-20-12-16-24-64(56)72(7,8)68(60)44-52;1-47-15-11-23-61(43-47)67(62-24-12-16-48(2)44-62)59-39-35-57(36-40-59)65(53-19-7-5-8-20-53)55-31-27-51(28-32-55)52-29-33-56(34-30-52)66(54-21-9-6-10-22-54)58-37-41-60(42-38-58)68(63-25-13-17-49(3)45-63)64-26-14-18-50(4)46-64;1-43-22-19-31-55(34-43)64(52-25-13-10-14-26-52)58-37-49(7)61(40-46(58)4)67(62-41-47(5)59(38-50(62)8)65(53-27-15-11-16-28-53)56-32-20-23-44(2)35-56)63-42-48(6)60(39-51(63)9)66(54-29-17-12-18-30-54)57-33-21-24-45(3)36-57/h1-52H;9-44H,1-8H3;5-46H,1-4H3;10-42H,1-9H3
• InChIKey: BOLRDTAIUVBATA-UHFFFAOYSA-N
• XLogP: 77.66
• TPSA: 45.36 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 44
• Heavy Atoms: 287
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3702.91
LogP ≤ 5	77.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine?

The IUPAC name of N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine (CID 157412621) is N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine.

What is the SMILES notation for N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine?

The canonical SMILES for N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1cccc(N(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cc4)cc3)cc2)c2cccc(C)c2)c1.Cc1cccc(N(c2ccccc2)c2cc(C)c(N(c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)c3cc(C)c(N(c4ccccc4)c4cccc(C)c4)cc3C)cc2C)c1.c1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c5cc(N(c6ccccc6)c6ccccc6)ccc5c5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3c2)cc1.

What is the InChIKey of N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine?

The InChIKey is BOLRDTAIUVBATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N4.C72H60N2.C64H54N4.C63H60N4/c1-9-25-53(26-10-1)75(54-27-11-2-12-28-54)61-41-45-65-66-46-42-63(77(57-33-17-5-18-34-57)58-35-19-6-20-36-58)51-71(66)74-72-52-64(78(59-37-21-7-22-38-59)60-39-23-8-24-40-60)44-48-68(72)67-47-43-62(50-70(67)73(74)69(65)49-61)76(55-29-13-3-14-30-55)56-31-15-4-16-32-56;1-69(2)61-21-13-9-17-53(61)57-37-33-49(41-65(57)69)73(50-34-38-58-54-18-10-14-22-62(54)70(3,4)66(58)42-50)47-29-25-45(26-30-47)46-27-31-48(32-28-46)74(51-35-39-59-55-19-11-15-23-63(55)71(5,6)67(59)43-51)52-36-40-60-56-20-12-16-24-64(56)72(7,8)68(60)44-52;1-47-15-11-23-61(43-47)67(62-24-12-16-48(2)44-62)59-39-35-57(36-40-59)65(53-19-7-5-8-20-53)55-31-27-51(28-32-55)52-29-33-56(34-30-52)66(54-21-9-6-10-22-54)58-37-41-60(42-38-58)68(63-25-13-17-49(3)45-63)64-26-14-18-50(4)46-64;1-43-22-19-31-55(34-43)64(52-25-13-10-14-26-52)58-37-49(7)61(40-46(58)4)67(62-41-47(5)59(38-50(62)8)65(53-27-15-11-16-28-53)56-32-20-23-44(2)35-56)63-42-48(6)60(39-51(63)9)66(54-29-17-12-18-30-54)57-33-21-24-45(3)36-57/h1-52H;9-44H,1-8H3;5-46H,1-4H3;10-42H,1-9H3.

What are the key properties of N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine?

N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine has a molecular weight of 3702.91 g/mol, XLogP of 77.66, 44 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;4-N,4-N,11-N,11-N,17-N,17-N,24-N,24-N-octakis-phenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaene-4,11,17,24-tetramine is sourced from PubChem (CID 157412621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).