5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine

C49H36N2 — CID 123370130

IUPAC5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine
SMILESC1=CC2=C(CC1)c1ccccc1C21C2=C(CCC(N3c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccccc43)=C2)c2ccccc21
InChIInChI=1S/C49H36N2/c1-2-14-33(15-3-1)34-26-28-35(29-27-34)50-45-22-10-12-24-47(45)51(48-25-13-11-23-46(48)50)36-30-31-40-39-18-6-9-21-43(39)49(44(40)32-36)41-19-7-4-16-37(41)38-17-5-8-20-42(38)49/h1-4,6-16,18-29,32H,5,17,30-31H2
InChIKeyIUUSJHVGPFFDNU-UHFFFAOYSA-N
MW652.84 g/mol
LogP12.82
Rot. Bonds3

About 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine

5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine (PubChem CID 123370130) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine.

Molecular Properties

Compound Name5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine
PubChem CID123370130
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC Name5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine
SMILESC1=CC2=C(CC1)c1ccccc1C21C2=C(CCC(N3c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccccc43)=C2)c2ccccc21
InChIInChI=1S/C49H36N2/c1-2-14-33(15-3-1)34-26-28-35(29-27-34)50-45-22-10-12-24-47(45)51(48-25-13-11-23-46(48)50)36-30-31-40-39-18-6-9-21-43(39)49(44(40)32-36)41-19-7-4-16-37(41)38-17-5-8-20-42(38)49/h1-4,6-16,18-29,32H,5,17,30-31H2
InChIKeyIUUSJHVGPFFDNU-UHFFFAOYSA-N
XLogP12.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine
CID 89111089
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 89110924
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
CID 167214690
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
10-phenyl-2-(10'-phenylspiro[1,2-dihydrofluorene-9,9'-acridine]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 142356343
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene
CID 145097128

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine?
The IUPAC name of 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine (CID 123370130) is 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine.
What is the SMILES notation for 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine?
The canonical SMILES for 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine is C1=CC2=C(CC1)c1ccccc1C21C2=C(CCC(N3c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccccc43)=C2)c2ccccc21.
What is the InChIKey of 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine?
The InChIKey is IUUSJHVGPFFDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-2-14-33(15-3-1)34-26-28-35(29-27-34)50-45-22-10-12-24-47(45)51(48-25-13-11-23-46(48)50)36-30-31-40-39-18-6-9-21-43(39)49(44(40)32-36)41-19-7-4-16-37(41)38-17-5-8-20-42(38)49/h1-4,6-16,18-29,32H,5,17,30-31H2.
What are the key properties of 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine?
5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine has a molecular weight of 652.84 g/mol, XLogP of 12.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine is sourced from PubChem (CID 123370130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).