18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]

C69H63BrN2 — CID 177289857

About 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]

18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] (PubChem CID 177289857) has the molecular formula C69H63BrN2 and a molecular weight of 1000.18 g/mol. Its IUPAC name is 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
• PubChem CID: 177289857
• Molecular Formula: C69H63BrN2
• Molecular Weight: 1000.18 g/mol
• Exact Mass: 998.42
• IUPAC Name: 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccc3ccccc3c2)cc2c(c1Br)-n1c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(c31)C21c2ccccc2-c2ccccc21
• InChI: InChI=1S/C69H63BrN2/c1-65(2,3)43-27-30-58-50(34-43)51-35-44(66(4,5)6)28-31-59(51)71(58)63-49(42-26-25-40-19-13-14-20-41(40)33-42)39-57-64(61(63)70)72-60-32-29-45(67(7,8)9)36-52(60)53-37-46(68(10,11)12)38-56(62(53)72)69(57)54-23-17-15-21-47(54)48-22-16-18-24-55(48)69/h13-39H,1-12H3
• InChIKey: YQIYLYRBBZHSTJ-UHFFFAOYSA-N
• XLogP: 19.33
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.18
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?

The IUPAC name of 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] (CID 177289857) is 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene].

What is the SMILES notation for 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?

The canonical SMILES for 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccc3ccccc3c2)cc2c(c1Br)-n1c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(c31)C21c2ccccc2-c2ccccc21.

What is the InChIKey of 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?

The InChIKey is YQIYLYRBBZHSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H63BrN2/c1-65(2,3)43-27-30-58-50(34-43)51-35-44(66(4,5)6)28-31-59(51)71(58)63-49(42-26-25-40-19-13-14-20-41(40)33-42)39-57-64(61(63)70)72-60-32-29-45(67(7,8)9)36-52(60)53-37-46(68(10,11)12)38-56(62(53)72)69(57)54-23-17-15-21-47(54)48-22-16-18-24-55(48)69/h13-39H,1-12H3.

What are the key properties of 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?

18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] has a molecular weight of 1000.18 g/mol, XLogP of 19.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18-bromo-5,10-ditert-butyl-17-(3,6-ditert-butylcarbazol-9-yl)-16-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] is sourced from PubChem (CID 177289857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).