2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline

C110H63N5O3 — CID 158284755

IUPAC2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2oc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3ccc4ccccc4n3)c2-c2oc3ccccc3c21.c1ccc2c(c1)-c1oc3ccccc3c1C21c2ccccc2-c2c(-c3cnc4ccccc4n3)cccc21
InChIInChI=1S/C39H22N2O.C36H21NO.C35H20N2O/c1-4-12-30-26(9-1)27-19-17-25(33-20-18-24-16-15-23-8-7-21-40-36(23)37(24)41-33)22-32(27)39(30)31-13-5-2-10-28(31)38-35(39)29-11-3-6-14-34(29)42-38;1-7-18-30-22(10-1)20-21-31(37-30)25-14-9-17-29-33(25)35-34(26-13-4-8-19-32(26)38-35)36(29)27-15-5-2-11-23(27)24-12-3-6-16-28(24)36;1-4-14-25-21(10-1)32-23(30-20-36-28-17-6-7-18-29(28)37-30)13-9-16-27(32)35(25)26-15-5-2-11-22(26)34-33(35)24-12-3-8-19-31(24)38-34/h1-22H;1-21H;1-20H
InChIKeyGKQHQFVVENFGGO-UHFFFAOYSA-N
MW1502.75 g/mol
LogP26.92
Rot. Bonds3

About 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline

2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline (PubChem CID 158284755) has the molecular formula C110H63N5O3 and a molecular weight of 1502.75 g/mol. Its IUPAC name is 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline.

Molecular Properties

Compound Name2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline
PubChem CID158284755
Molecular FormulaC110H63N5O3
Molecular Weight1502.75 g/mol
Exact Mass1501.49
IUPAC Name2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2oc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3ccc4ccccc4n3)c2-c2oc3ccccc3c21.c1ccc2c(c1)-c1oc3ccccc3c1C21c2ccccc2-c2c(-c3cnc4ccccc4n3)cccc21
InChIInChI=1S/C39H22N2O.C36H21NO.C35H20N2O/c1-4-12-30-26(9-1)27-19-17-25(33-20-18-24-16-15-23-8-7-21-40-36(23)37(24)41-33)22-32(27)39(30)31-13-5-2-10-28(31)38-35(39)29-11-3-6-14-34(29)42-38;1-7-18-30-22(10-1)20-21-31(37-30)25-14-9-17-29-33(25)35-34(26-13-4-8-19-32(26)38-35)36(29)27-15-5-2-11-23(27)24-12-3-6-16-28(24)36;1-4-14-25-21(10-1)32-23(30-20-36-28-17-6-7-18-29(28)37-30)13-9-16-27(32)35(25)26-15-5-2-11-22(26)34-33(35)24-12-3-8-19-31(24)38-34/h1-22H;1-21H;1-20H
InChIKeyGKQHQFVVENFGGO-UHFFFAOYSA-N
XLogP26.92
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001502.75
LogP ≤ 526.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline 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

7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]
CID 126652975
2,4-dipyridin-3-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-yl-1,3,5-triazine;2-naphthalen-2-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3-ylphenyl)pyridine;2-naphthalen-2-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyridine;2-pyridin-2-yl-4-pyridin-3-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-yl-1,3,5-triazine
CID 159591298
2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline
CID 129264602
1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline
CID 154619109
2-[2'-(1,9-phenanthrolin-8-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline
CID 58789519
2-[17,29-bis(1,10-phenanthrolin-2-yl)-4-nonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15(20),16,18,21,23,25,27(32),28,30,33,35,37-octadecaenyl]-1,10-phenanthroline
CID 59096375
4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine
CID 158617039
2'-(1,10-phenanthrolin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 90246647
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine
CID 134529155
2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 129208813
2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline
CID 137395647
2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine
CID 155048189

Frequently Asked Questions

What is the IUPAC name of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline?
The IUPAC name of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline (CID 158284755) is 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline.
What is the SMILES notation for 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline?
The canonical SMILES for 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline is c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2oc3ccccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3ccc4ccccc4n3)c2-c2oc3ccccc3c21.c1ccc2c(c1)-c1oc3ccccc3c1C21c2ccccc2-c2c(-c3cnc4ccccc4n3)cccc21.
What is the InChIKey of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline?
The InChIKey is GKQHQFVVENFGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N2O.C36H21NO.C35H20N2O/c1-4-12-30-26(9-1)27-19-17-25(33-20-18-24-16-15-23-8-7-21-40-36(23)37(24)41-33)22-32(27)39(30)31-13-5-2-10-28(31)38-35(39)29-11-3-6-14-34(29)42-38;1-7-18-30-22(10-1)20-21-31(37-30)25-14-9-17-29-33(25)35-34(26-13-4-8-19-32(26)38-35)36(29)27-15-5-2-11-23(27)24-12-3-6-16-28(24)36;1-4-14-25-21(10-1)32-23(30-20-36-28-17-6-7-18-29(28)37-30)13-9-16-27(32)35(25)26-15-5-2-11-22(26)34-33(35)24-12-3-8-19-31(24)38-34/h1-22H;1-21H;1-20H.
What are the key properties of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline?
2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline has a molecular weight of 1502.75 g/mol, XLogP of 26.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-yl-1,10-phenanthroline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylquinoline;2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylquinoxaline is sourced from PubChem (CID 158284755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).