4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline

C41H24N2 — CID 155460674

IUPAC4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccnc4c3ccc3cccnc34)c3cccc1c23
InChIInChI=1S/C41H24N2/c1-4-14-34-28(10-1)29-11-2-5-15-35(29)41(34)36-16-6-3-12-30(36)32-21-20-26(31-13-7-17-37(41)38(31)32)27-22-24-43-40-33(27)19-18-25-9-8-23-42-39(25)40/h1-24H
InChIKeyNNPLRVNLJZYPPJ-UHFFFAOYSA-N
MW544.66 g/mol
LogP9.95
Rot. Bonds1

About 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline

4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline (PubChem CID 155460674) has the molecular formula C41H24N2 and a molecular weight of 544.66 g/mol. Its IUPAC name is 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline.

Molecular Properties

Compound Name4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline
PubChem CID155460674
Molecular FormulaC41H24N2
Molecular Weight544.66 g/mol
Exact Mass544.19
IUPAC Name4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccnc4c3ccc3cccnc34)c3cccc1c23
InChIInChI=1S/C41H24N2/c1-4-14-34-28(10-1)29-11-2-5-15-35(29)41(34)36-16-6-3-12-30(36)32-21-20-26(31-13-7-17-37(41)38(31)32)27-22-24-43-40-33(27)19-18-25-9-8-23-42-39(25)40/h1-24H
InChIKeyNNPLRVNLJZYPPJ-UHFFFAOYSA-N
XLogP9.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylphenyl)-1,10-phenanthroline
CID 155460544
8'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
CID 140945746
2'-(1,10-phenanthrolin-5-yl)spiro[2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 121308429
2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine
CID 155460562
8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline
CID 166026095
8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648983
9-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 155460632
spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
CID 59522731
4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline
CID 59845165
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179
21-[3-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 146408753
3-[7'-(1,10-phenanthrolin-5-yl)-9,9'-spirobi[fluorene]-2'-yl]benzonitrile
CID 139522946

Frequently Asked Questions

What is the IUPAC name of 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline?
The IUPAC name of 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline (CID 155460674) is 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline.
What is the SMILES notation for 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline?
The canonical SMILES for 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccnc4c3ccc3cccnc34)c3cccc1c23.
What is the InChIKey of 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline?
The InChIKey is NNPLRVNLJZYPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2/c1-4-14-34-28(10-1)29-11-2-5-15-35(29)41(34)36-16-6-3-12-30(36)32-21-20-26(31-13-7-17-37(41)38(31)32)27-22-24-43-40-33(27)19-18-25-9-8-23-42-39(25)40/h1-24H.
What are the key properties of 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline?
4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline has a molecular weight of 544.66 g/mol, XLogP of 9.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline is sourced from PubChem (CID 155460674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).