9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine

C344H384N12 — CID 157362936

About 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine

9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 157362936) has the molecular formula C344H384N12 and a molecular weight of 4686.94 g/mol. Its IUPAC name is 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
• PubChem CID: 157362936
• Molecular Formula: C344H384N12
• Molecular Weight: 4686.94 g/mol
• Exact Mass: 4683.04
• IUPAC Name: 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C(C)(C)C)(C2(C(C)(C)C)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4-c4c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C2(C)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(C2(c4ccccc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1
• InChI: InChI=1S/C118H126N4.C118H136N4.C108H122N4/c1-109(2,3)79-35-51-89(52-36-79)119(90-53-37-80(38-54-90)110(4,5)6)97-67-71-101-102-72-68-98(120(91-55-39-81(40-56-91)111(7,8)9)92-57-41-82(42-58-92)112(10,11)12)76-106(102)117(105(101)75-97,87-31-27-25-28-32-87)118(88-33-29-26-30-34-88)107-77-99(121(93-59-43-83(44-60-93)113(13,14)15)94-61-45-84(46-62-94)114(16,17)18)69-73-103(107)104-74-70-100(78-108(104)118)122(95-63-47-85(48-64-95)115(19,20)21)96-65-49-86(50-66-96)116(22,23)24;1-107(2,3)77-35-51-85(52-36-77)119(86-53-37-78(38-54-86)108(4,5)6)93-67-70-96-97-71-68-94(120(87-55-39-79(40-56-87)109(7,8)9)88-57-41-80(42-58-88)110(10,11)12)74-102(97)117(101(96)73-93,115(25,26)27)118(116(28,29)30)103-75-95(121(89-59-43-81(44-60-89)111(13,14)15)90-61-45-82(46-62-90)112(16,17)18)69-72-100(103)106-99-34-32-31-33-98(99)105(76-104(106)118)122(91-63-47-83(48-64-91)113(19,20)21)92-65-49-84(50-66-92)114(22,23)24;1-99(2,3)71-27-43-79(44-28-71)109(80-45-29-72(30-46-80)100(4,5)6)87-59-63-91-92-64-60-88(110(81-47-31-73(32-48-81)101(7,8)9)82-49-33-74(34-50-82)102(10,11)12)68-96(92)107(25,95(91)67-87)108(26)97-69-89(111(83-51-35-75(36-52-83)103(13,14)15)84-53-37-76(38-54-84)104(16,17)18)61-65-93(97)94-66-62-90(70-98(94)108)112(85-55-39-77(40-56-85)105(19,20)21)86-57-41-78(42-58-86)106(22,23)24/h25-78H,1-24H3;31-76H,1-30H3;27-70H,1-26H3
• InChIKey: BIVTVBHMAHGMHZ-UHFFFAOYSA-N
• XLogP: 98.92
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 41
• Heavy Atoms: 356
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4686.94
LogP ≤ 5	98.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine?

The IUPAC name of 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine (CID 157362936) is 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine.

What is the SMILES notation for 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine?

The canonical SMILES for 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C(C)(C)C)(C2(C(C)(C)C)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4-c4c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C2(C)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(C2(c4ccccc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)ccc2-3)cc1.

What is the InChIKey of 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine?

The InChIKey is BIVTVBHMAHGMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H126N4.C118H136N4.C108H122N4/c1-109(2,3)79-35-51-89(52-36-79)119(90-53-37-80(38-54-90)110(4,5)6)97-67-71-101-102-72-68-98(120(91-55-39-81(40-56-91)111(7,8)9)92-57-41-82(42-58-92)112(10,11)12)76-106(102)117(105(101)75-97,87-31-27-25-28-32-87)118(88-33-29-26-30-34-88)107-77-99(121(93-59-43-83(44-60-93)113(13,14)15)94-61-45-84(46-62-94)114(16,17)18)69-73-103(107)104-74-70-100(78-108(104)118)122(95-63-47-85(48-64-95)115(19,20)21)96-65-49-86(50-66-96)116(22,23)24;1-107(2,3)77-35-51-85(52-36-77)119(86-53-37-78(38-54-86)108(4,5)6)93-67-70-96-97-71-68-94(120(87-55-39-79(40-56-87)109(7,8)9)88-57-41-80(42-58-88)110(10,11)12)74-102(97)117(101(96)73-93,115(25,26)27)118(116(28,29)30)103-75-95(121(89-59-43-81(44-60-89)111(13,14)15)90-61-45-82(46-62-90)112(16,17)18)69-72-100(103)106-99-34-32-31-33-98(99)105(76-104(106)118)122(91-63-47-83(48-64-91)113(19,20)21)92-65-49-84(50-66-92)114(22,23)24;1-99(2,3)71-27-43-79(44-28-71)109(80-45-29-72(30-46-80)100(4,5)6)87-59-63-91-92-64-60-88(110(81-47-31-73(32-48-81)101(7,8)9)82-49-33-74(34-50-82)102(10,11)12)68-96(92)107(25,95(91)67-87)108(26)97-69-89(111(83-51-35-75(36-52-83)103(13,14)15)84-53-37-76(38-54-84)104(16,17)18)61-65-93(97)94-66-62-90(70-98(94)108)112(85-55-39-77(40-56-85)105(19,20)21)86-57-41-78(42-58-86)106(22,23)24/h25-78H,1-24H3;31-76H,1-30H3;27-70H,1-26H3.

What are the key properties of 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine?

9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 4686.94 g/mol, XLogP of 98.92, 41 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 157362936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).