2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline

C45H28N2 — CID 145353651

About 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline

2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline (PubChem CID 145353651) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline
• PubChem CID: 145353651
• Molecular Formula: C45H28N2
• Molecular Weight: 596.73 g/mol
• Exact Mass: 596.23
• IUPAC Name: 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline
• SMILES: C1=Cc2cccnc2C2NC(c3cc4c(c5ccccc35)-c3cc5ccccc5cc3C43c4ccccc4-c4ccccc43)=CC=C12
• InChI: InChI=1S/C45H28N2/c1-2-11-30-25-39-36(24-29(30)10-1)42-34-16-4-3-13-31(34)35(41-22-21-28-20-19-27-12-9-23-46-43(27)44(28)47-41)26-40(42)45(39)37-17-7-5-14-32(37)33-15-6-8-18-38(33)45/h1-26,44,47H
• InChIKey: GNBYDSTXQUKSHS-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.73
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline?

The IUPAC name of 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline (CID 145353651) is 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline.

What is the SMILES notation for 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline?

The canonical SMILES for 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline is C1=Cc2cccnc2C2NC(c3cc4c(c5ccccc35)-c3cc5ccccc5cc3C43c4ccccc4-c4ccccc43)=CC=C12.

What is the InChIKey of 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline?

The InChIKey is GNBYDSTXQUKSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-2-11-30-25-39-36(24-29(30)10-1)42-34-16-4-3-13-31(34)35(41-22-21-28-20-19-27-12-9-23-46-43(27)44(28)47-41)26-40(42)45(39)37-17-7-5-14-32(37)33-15-6-8-18-38(33)45/h1-26,44,47H.

What are the key properties of 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline?

2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline has a molecular weight of 596.73 g/mol, XLogP of 10.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-yl-1,10b-dihydro-1,10-phenanthroline is sourced from PubChem (CID 145353651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).