3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline

C61H38N4 — CID 121460980

IUPAC3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cnc3c(ccc4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7cnc8c(ccc9cc(-c%10ccccc%10)cnc98)c7)ccc5-6)cnc43)c2)cc1
InChIInChI=1S/C61H38N4/c1-5-13-39(14-6-1)47-29-43-21-23-45-31-49(37-64-59(45)57(43)62-35-47)41-25-27-53-54-28-26-42(34-56(54)61(55(53)33-41,51-17-9-3-10-18-51)52-19-11-4-12-20-52)50-32-46-24-22-44-30-48(40-15-7-2-8-16-40)36-63-58(44)60(46)65-38-50/h1-38H
InChIKeyRJCGWLWMXANUFS-UHFFFAOYSA-N
MW827.00 g/mol
LogP14.91
Rot. Bonds6

About 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline

3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline (PubChem CID 121460980) has the molecular formula C61H38N4 and a molecular weight of 827.00 g/mol. Its IUPAC name is 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline
PubChem CID121460980
Molecular FormulaC61H38N4
Molecular Weight827.00 g/mol
Exact Mass826.31
IUPAC Name3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2cnc3c(ccc4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7cnc8c(ccc9cc(-c%10ccccc%10)cnc98)c7)ccc5-6)cnc43)c2)cc1
InChIInChI=1S/C61H38N4/c1-5-13-39(14-6-1)47-29-43-21-23-45-31-49(37-64-59(45)57(43)62-35-47)41-25-27-53-54-28-26-42(34-56(54)61(55(53)33-41,51-17-9-3-10-18-51)52-19-11-4-12-20-52)50-32-46-24-22-44-30-48(40-15-7-2-8-16-40)36-63-58(44)60(46)65-38-50/h1-38H
InChIKeyRJCGWLWMXANUFS-UHFFFAOYSA-N
XLogP14.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.00
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
2-iodo-7,9,9-triphenylfluorene
CID 149383994
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-diphenylbenzo[b]fluoren-2-yl]aniline
CID 163420554
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline?
The IUPAC name of 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline (CID 121460980) is 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline.
What is the SMILES notation for 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline?
The canonical SMILES for 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline is c1ccc(-c2cnc3c(ccc4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7cnc8c(ccc9cc(-c%10ccccc%10)cnc98)c7)ccc5-6)cnc43)c2)cc1.
What is the InChIKey of 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline?
The InChIKey is RJCGWLWMXANUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4/c1-5-13-39(14-6-1)47-29-43-21-23-45-31-49(37-64-59(45)57(43)62-35-47)41-25-27-53-54-28-26-42(34-56(54)61(55(53)33-41,51-17-9-3-10-18-51)52-19-11-4-12-20-52)50-32-46-24-22-44-30-48(40-15-7-2-8-16-40)36-63-58(44)60(46)65-38-50/h1-38H.
What are the key properties of 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline?
3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline has a molecular weight of 827.00 g/mol, XLogP of 14.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline is sourced from PubChem (CID 121460980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).