2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine

C48H36N2 — CID 167353810

IUPAC2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccc3c(c2)C2(c4c-3ccc3ccccc43)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C48H36N2/c1-2-11-31(12-3-1)44-45(50-47-41-17-9-7-15-37(41)36-14-6-8-16-40(36)46(47)49-44)32-19-20-38-39-21-18-30-10-4-5-13-35(30)43(39)48(42(38)27-32)33-23-28-22-29(25-33)26-34(48)24-28/h1-21,27-29,33-34H,22-26H2
InChIKeyFHXLHIGXUGJNGM-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.15
Rot. Bonds2

About 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine

2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine (PubChem CID 167353810) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine
PubChem CID167353810
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccc3c(c2)C2(c4c-3ccc3ccccc43)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C48H36N2/c1-2-11-31(12-3-1)44-45(50-47-41-17-9-7-15-37(41)36-14-6-8-16-40(36)46(47)49-44)32-19-20-38-39-21-18-30-10-4-5-13-35(30)43(39)48(42(38)27-32)33-23-28-22-29(25-33)26-34(48)24-28/h1-21,27-29,33-34H,22-26H2
InChIKeyFHXLHIGXUGJNGM-UHFFFAOYSA-N
XLogP12.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine 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

2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 167353905
2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353552
18-phenyl-17-(6-spiro[adamantane-2,11'-benzo[a]fluorene]-10'-ylnaphthalen-2-yl)-21-oxa-16,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 167353805
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353637
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353697
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
1-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)dibenzothiophene
CID 168808709
4-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)dibenzothiophene
CID 168808737
2-(6',6'-dimethylspiro[adamantane-2,12'-indeno[1,2-b]fluorene]-3'-yl)-3-phenylbenzo[f]quinoxaline
CID 168834550
8'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808727
2-[4-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 168808994

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine?
The IUPAC name of 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine (CID 167353810) is 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine is c1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccc3c(c2)C2(c4c-3ccc3ccccc43)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine?
The InChIKey is FHXLHIGXUGJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-2-11-31(12-3-1)44-45(50-47-41-17-9-7-15-37(41)36-14-6-8-16-40(36)46(47)49-44)32-19-20-38-39-21-18-30-10-4-5-13-35(30)43(39)48(42(38)27-32)33-23-28-22-29(25-33)26-34(48)24-28/h1-21,27-29,33-34H,22-26H2.
What are the key properties of 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine?
2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine has a molecular weight of 640.83 g/mol, XLogP of 12.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 167353810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).