11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C132H119BN4 — CID 176873754

About 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 176873754) has the molecular formula C132H119BN4 and a molecular weight of 1772.24 g/mol. Its IUPAC name is 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 176873754
• Molecular Formula: C132H119BN4
• Molecular Weight: 1772.24 g/mol
• Exact Mass: 1770.95
• IUPAC Name: 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: CC(C)(C)c1cc(-c2cc(C(C)(C)C)ccc2N2c3cc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)ccc3B3c4ccc(-n5c6ccccc6c6cc7c(cc65)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)cc4N(c4ccc(C(C)(C)C)cc4-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc2c43)cc(C(C)(C)C)c1
• InChI: InChI=1S/C132H119BN4/c1-124(2,3)80-54-60-115(97(68-80)78-62-82(126(7,8)9)66-83(63-78)127(10,11)12)136-119-72-87(134-113-52-36-28-44-95(113)101-74-99-93-42-26-34-50-107(93)131(109(99)76-117(101)134)103-46-30-22-38-89(103)90-39-23-31-47-104(90)131)56-58-111(119)133-112-59-57-88(135-114-53-37-29-45-96(114)102-75-100-94-43-27-35-51-108(94)132(110(100)77-118(102)135)105-48-32-24-40-91(105)92-41-25-33-49-106(92)132)73-120(112)137(122-71-86(130(19,20)21)70-121(136)123(122)133)116-61-55-81(125(4,5)6)69-98(116)79-64-84(128(13,14)15)67-85(65-79)129(16,17)18/h22-77H,1-21H3
• InChIKey: LWPQSLYMJDSBJO-UHFFFAOYSA-N
• XLogP: 33.07
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1772.24
LogP ≤ 5	33.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 176873754) is 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1cc(-c2cc(C(C)(C)C)ccc2N2c3cc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)ccc3B3c4ccc(-n5c6ccccc6c6cc7c(cc65)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)cc4N(c4ccc(C(C)(C)C)cc4-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc2c43)cc(C(C)(C)C)c1.

What is the InChIKey of 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is LWPQSLYMJDSBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H119BN4/c1-124(2,3)80-54-60-115(97(68-80)78-62-82(126(7,8)9)66-83(63-78)127(10,11)12)136-119-72-87(134-113-52-36-28-44-95(113)101-74-99-93-42-26-34-50-107(93)131(109(99)76-117(101)134)103-46-30-22-38-89(103)90-39-23-31-47-104(90)131)56-58-111(119)133-112-59-57-88(135-114-53-37-29-45-96(114)102-75-100-94-43-27-35-51-108(94)132(110(100)77-118(102)135)105-48-32-24-40-91(105)92-41-25-33-49-106(92)132)73-120(112)137(122-71-86(130(19,20)21)70-121(136)123(122)133)116-61-55-81(125(4,5)6)69-98(116)79-64-84(128(13,14)15)67-85(65-79)129(16,17)18/h22-77H,1-21H3.

What are the key properties of 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 1772.24 g/mol, XLogP of 33.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-tert-butyl-8,14-bis[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5,17-di(spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 176873754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).