6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

C108H96N6 — CID 167218314

About 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene (PubChem CID 167218314) has the molecular formula C108H96N6 and a molecular weight of 1478.00 g/mol. Its IUPAC name is 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene.

Molecular Properties

• Compound Name: 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
• PubChem CID: 167218314
• Molecular Formula: C108H96N6
• Molecular Weight: 1478.00 g/mol
• Exact Mass: 1476.77
• IUPAC Name: 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1cccc3c4c(-n5c6ccc(CC(C)(C)c7ccc8c(c7)c7cc(C(C)(C)C)ccc7n8-c7cccc8c7c7cccc9c%10c(-n%11c%12ccc(C(C)(C)C)cc%12c%12cc(C(C)(C)C)ccc%12%11)cccc%10n8c97)cc6c6cc(C(C)(C)C)ccc65)cccc4n2c13
• InChI: InChI=1S/C108H96N6/c1-103(2,3)63-41-48-83-75(55-63)69-26-18-19-31-81(69)109(83)89-32-22-36-93-97(89)70-27-20-28-71-98-90(33-23-37-94(98)113(93)101(70)71)110-82-47-40-62(54-74(82)76-56-64(104(4,5)6)42-49-84(76)110)61-108(16,17)68-46-53-88-80(60-68)79-59-67(107(13,14)15)45-52-87(79)112(88)92-35-25-39-96-100(92)73-30-21-29-72-99-91(34-24-38-95(99)114(96)102(72)73)111-85-50-43-65(105(7,8)9)57-77(85)78-58-66(106(10,11)12)44-51-86(78)111/h18-60H,61H2,1-17H3
• InChIKey: NYXKTRJETLNCAY-UHFFFAOYSA-N
• XLogP: 29.38
• TPSA: 28.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1478.00
LogP ≤ 5	29.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?

The IUPAC name of 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene (CID 167218314) is 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene.

What is the SMILES notation for 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?

The canonical SMILES for 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1cccc3c4c(-n5c6ccc(CC(C)(C)c7ccc8c(c7)c7cc(C(C)(C)C)ccc7n8-c7cccc8c7c7cccc9c%10c(-n%11c%12ccc(C(C)(C)C)cc%12c%12cc(C(C)(C)C)ccc%12%11)cccc%10n8c97)cc6c6cc(C(C)(C)C)ccc65)cccc4n2c13.

What is the InChIKey of 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?

The InChIKey is NYXKTRJETLNCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H96N6/c1-103(2,3)63-41-48-83-75(55-63)69-26-18-19-31-81(69)109(83)89-32-22-36-93-97(89)70-27-20-28-71-98-90(33-23-37-94(98)113(93)101(70)71)110-82-47-40-62(54-74(82)76-56-64(104(4,5)6)42-49-84(76)110)61-108(16,17)68-46-53-88-80(60-68)79-59-67(107(13,14)15)45-52-87(79)112(88)92-35-25-39-96-100(92)73-30-21-29-72-99-91(34-24-38-95(99)114(96)102(72)73)111-85-50-43-65(105(7,8)9)57-77(85)78-58-66(106(10,11)12)44-51-86(78)111/h18-60H,61H2,1-17H3.

What are the key properties of 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?

6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene has a molecular weight of 1478.00 g/mol, XLogP of 29.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene is sourced from PubChem (CID 167218314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).