8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine

C149H160B2N6S — CID 174032034

About 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine

8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine (PubChem CID 174032034) has the molecular formula C149H160B2N6S and a molecular weight of 2088.65 g/mol. Its IUPAC name is 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine.

Molecular Properties

• Compound Name: 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine
• PubChem CID: 174032034
• Molecular Formula: C149H160B2N6S
• Molecular Weight: 2088.65 g/mol
• Exact Mass: 2087.26
• IUPAC Name: 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine
• SMILES: Cc1cc2c3c(c1)N(c1cc4c(cc1C)C(C)(C)CCC4(C)C)c1cc4c(cc1B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1cc(C(C)(C)CCC(C)(C)c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc5c(c3)N(c3ccc(C(C)(C)C)c6c3C(C)(C)c3ccccc3-6)c3cc(C)cc6c3B5c3cc5c(cc3N6c3cc6c(cc3C)C(C)(C)CCC6(C)C)C(C)(C)CC5(C)C)cc2)c2sc3ccccc3c2c1)C(C)(C)CC4(C)C
• InChI: InChI=1S/C149H160B2N6S/c1-89-71-127-134-129(73-89)156(121-83-111-107(75-91(121)3)140(13,14)67-69-142(111,17)18)125-85-113-109(145(23,24)87-147(113,27)28)81-118(125)150(134)116-62-59-99(152(95-43-35-33-36-44-95)96-45-37-34-38-46-96)79-123(116)154(127)101-77-104-102-47-40-42-50-131(102)158-136(104)115(78-101)144(21,22)66-65-139(11,12)94-53-57-98(58-54-94)153(97-55-51-93(52-56-97)137(5,6)7)100-60-63-117-124(80-100)155(120-64-61-106(138(8,9)10)132-103-48-39-41-49-105(103)149(31,32)133(120)132)128-72-90(2)74-130-135(128)151(117)119-82-110-114(148(29,30)88-146(110,25)26)86-126(119)157(130)122-84-112-108(76-92(122)4)141(15,16)68-70-143(112,19)20/h33-64,71-86H,65-70,87-88H2,1-32H3
• InChIKey: RAWNPGIGAUGKKU-UHFFFAOYSA-N
• XLogP: 37.95
• TPSA: 19.44 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2088.65
LogP ≤ 5	37.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine?

The IUPAC name of 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine (CID 174032034) is 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine.

What is the SMILES notation for 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine?

The canonical SMILES for 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine is Cc1cc2c3c(c1)N(c1cc4c(cc1C)C(C)(C)CCC4(C)C)c1cc4c(cc1B3c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1cc(C(C)(C)CCC(C)(C)c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc5c(c3)N(c3ccc(C(C)(C)C)c6c3C(C)(C)c3ccccc3-6)c3cc(C)cc6c3B5c3cc5c(cc3N6c3cc6c(cc3C)C(C)(C)CCC6(C)C)C(C)(C)CC5(C)C)cc2)c2sc3ccccc3c2c1)C(C)(C)CC4(C)C.

What is the InChIKey of 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine?

The InChIKey is RAWNPGIGAUGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C149H160B2N6S/c1-89-71-127-134-129(73-89)156(121-83-111-107(75-91(121)3)140(13,14)67-69-142(111,17)18)125-85-113-109(145(23,24)87-147(113,27)28)81-118(125)150(134)116-62-59-99(152(95-43-35-33-36-44-95)96-45-37-34-38-46-96)79-123(116)154(127)101-77-104-102-47-40-42-50-131(102)158-136(104)115(78-101)144(21,22)66-65-139(11,12)94-53-57-98(58-54-94)153(97-55-51-93(52-56-97)137(5,6)7)100-60-63-117-124(80-100)155(120-64-61-106(138(8,9)10)132-103-48-39-41-49-105(103)149(31,32)133(120)132)128-72-90(2)74-130-135(128)151(117)119-82-110-114(148(29,30)88-146(110,25)26)86-126(119)157(130)122-84-112-108(76-92(122)4)141(15,16)68-70-143(112,19)20/h33-64,71-86H,65-70,87-88H2,1-32H3.

What are the key properties of 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine?

8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine has a molecular weight of 2088.65 g/mol, XLogP of 37.95, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butyl-9,9-dimethylfluoren-1-yl)-N-(4-tert-butylphenyl)-N-[4-[2,5-dimethyl-5-[2-[11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-5-(N-phenylanilino)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-8-yl]dibenzothiophen-4-yl]hexan-2-yl]phenyl]-11,18,18,20,20-pentamethyl-14-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine is sourced from PubChem (CID 174032034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).