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]

C69H64N2 — CID 177290195

About 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]

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 177290195) has the molecular formula C69H64N2 and a molecular weight of 921.28 g/mol. Its IUPAC name is 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: 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: 177290195
• Molecular Formula: C69H64N2
• Molecular Weight: 921.28 g/mol
• Exact Mass: 920.51
• IUPAC Name: 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-c1cc2c(cc1-c1ccc3ccccc3c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13
• InChI: InChI=1S/C69H64N2/c1-65(2,3)44-27-30-59-51(34-44)52-35-45(66(4,5)6)28-31-60(52)70(59)62-40-63-57(39-50(62)43-26-25-41-19-13-14-20-42(41)33-43)69(55-23-17-15-21-48(55)49-22-16-18-24-56(49)69)58-38-47(68(10,11)12)37-54-53-36-46(67(7,8)9)29-32-61(53)71(63)64(54)58/h13-40H,1-12H3
• InChIKey: DGDHTJYPCLLGMN-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.28
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 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 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 177290195) is 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 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 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-c1cc2c(cc1-c1ccc3ccccc3c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n-2c13.

What is the InChIKey of 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 DGDHTJYPCLLGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H64N2/c1-65(2,3)44-27-30-59-51(34-44)52-35-45(66(4,5)6)28-31-60(52)70(59)62-40-63-57(39-50(62)43-26-25-41-19-13-14-20-42(41)33-43)69(55-23-17-15-21-48(55)49-22-16-18-24-56(49)69)58-38-47(68(10,11)12)37-54-53-36-46(67(7,8)9)29-32-61(53)71(63)64(54)58/h13-40H,1-12H3.

What are the key properties of 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]?

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 921.28 g/mol, XLogP of 18.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 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 177290195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).