2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline

C51H32N2 — CID 142453502

IUPAC2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5ccc6cccnc6c5n4)c(-c4c5ccccc5cc5ccccc45)cc32)cc1
InChIInChI=1S/C51H32N2/c1-3-17-37(18-4-1)51(38-19-5-2-6-20-38)45-24-12-11-23-41(45)42-31-43(47-28-27-34-26-25-33-16-13-29-52-49(33)50(34)53-47)44(32-46(42)51)48-39-21-9-7-14-35(39)30-36-15-8-10-22-40(36)48/h1-32H
InChIKeyAFUMNNXEVCPFSU-UHFFFAOYSA-N
MW672.83 g/mol
LogP12.79
Rot. Bonds4

About 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline

2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline (PubChem CID 142453502) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline
PubChem CID142453502
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5ccc6cccnc6c5n4)c(-c4c5ccccc5cc5ccccc45)cc32)cc1
InChIInChI=1S/C51H32N2/c1-3-17-37(18-4-1)51(38-19-5-2-6-20-38)45-24-12-11-23-41(45)42-31-43(47-28-27-34-26-25-33-16-13-29-52-49(33)50(34)53-47)44(32-46(42)51)48-39-21-9-7-14-35(39)30-36-15-8-10-22-40(36)48/h1-32H
InChIKeyAFUMNNXEVCPFSU-UHFFFAOYSA-N
XLogP12.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline
CID 142453620
4-[2-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]benzonitrile
CID 142453679
4-[3-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 142453638
2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 138739023
2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline
CID 142453659
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-1,10-phenanthroline
CID 138573838
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline
CID 165152115
2-(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'-ylphenyl)-1,10-phenanthroline
CID 137494871
2-[9-cyclohepta-1,3,6-trien-1-yl-9-phenyl-2-(4-phenylphenyl)fluoren-3-yl]-1,10-phenanthroline
CID 142453612
14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129124156
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-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline
CID 171732305

Frequently Asked Questions

What is the IUPAC name of 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline?
The IUPAC name of 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline (CID 142453502) is 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5ccc6cccnc6c5n4)c(-c4c5ccccc5cc5ccccc45)cc32)cc1.
What is the InChIKey of 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline?
The InChIKey is AFUMNNXEVCPFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-3-17-37(18-4-1)51(38-19-5-2-6-20-38)45-24-12-11-23-41(45)42-31-43(47-28-27-34-26-25-33-16-13-29-52-49(33)50(34)53-47)44(32-46(42)51)48-39-21-9-7-14-35(39)30-36-15-8-10-22-40(36)48/h1-32H.
What are the key properties of 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline?
2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline has a molecular weight of 672.83 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline is sourced from PubChem (CID 142453502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).