3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine

C65H41N3 — CID 88905992

IUPAC3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESC1=CC2c3ccccc3C3(c4ccccc4-c4ccccc43)C2C=C1c1ccc2c(c1)c1ccc(-c3ccccc3-c3cnc4c5ccccc5c5ccccc5c4n3)cc1n2-c1ccccc1
InChIInChI=1S/C65H41N3/c1-2-16-43(17-3-1)68-61-35-32-40(41-30-33-50-49-23-12-15-29-58(49)65(59(50)37-41)56-27-13-10-21-47(56)48-22-11-14-28-57(48)65)36-55(61)52-34-31-42(38-62(52)68)44-18-4-7-24-51(44)60-39-66-63-53-25-8-5-19-45(53)46-20-6-9-26-54(46)64(63)67-60/h1-39,50,59H
InChIKeyXUKWGIOKFVXTHV-UHFFFAOYSA-N
MW864.06 g/mol
LogP16.05
Rot. Bonds4

About 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine

3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 88905992) has the molecular formula C65H41N3 and a molecular weight of 864.06 g/mol. Its IUPAC name is 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID88905992
Molecular FormulaC65H41N3
Molecular Weight864.06 g/mol
Exact Mass863.33
IUPAC Name3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESC1=CC2c3ccccc3C3(c4ccccc4-c4ccccc43)C2C=C1c1ccc2c(c1)c1ccc(-c3ccccc3-c3cnc4c5ccccc5c5ccccc5c4n3)cc1n2-c1ccccc1
InChIInChI=1S/C65H41N3/c1-2-16-43(17-3-1)68-61-35-32-40(41-30-33-50-49-23-12-15-29-58(49)65(59(50)37-41)56-27-13-10-21-47(56)48-22-11-14-28-57(48)65)36-55(61)52-34-31-42(38-62(52)68)44-18-4-7-24-51(44)60-39-66-63-53-25-8-5-19-45(53)46-20-6-9-26-54(46)64(63)67-60/h1-39,50,59H
InChIKeyXUKWGIOKFVXTHV-UHFFFAOYSA-N
XLogP16.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.06
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(9-methylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(9-phenylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(9-phenylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 159778917
3-(3-carbazol-9-ylphenyl)-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-11-(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine
CID 88905893
3-[9,9-dimethyl-7-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129064197
3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 160635816
3-[3-[4-[5-(9-phenylcarbazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063995
6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063953
9-phenyl-6-[7-(9-phenylpyrido[2,3-b]indol-6-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-yl]pyrido[2,3-b]indole;7'-(9-phenylpyrido[2,3-b]indol-6-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-4a,9a-dihydrofluorene];2-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)-1,10-phenanthroline;9-pyridin-2-yl-6-quinolin-2-ylpyrido[2,3-b]indole
CID 162101896
3-[3-[4-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064194
3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063733
3-[3-[4-[3-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064044
11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 138533157
3-[3-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682647

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 88905992) is 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine is C1=CC2c3ccccc3C3(c4ccccc4-c4ccccc43)C2C=C1c1ccc2c(c1)c1ccc(-c3ccccc3-c3cnc4c5ccccc5c5ccccc5c4n3)cc1n2-c1ccccc1.
What is the InChIKey of 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is XUKWGIOKFVXTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3/c1-2-16-43(17-3-1)68-61-35-32-40(41-30-33-50-49-23-12-15-29-58(49)65(59(50)37-41)56-27-13-10-21-47(56)48-22-11-14-28-57(48)65)36-55(61)52-34-31-42(38-62(52)68)44-18-4-7-24-51(44)60-39-66-63-53-25-8-5-19-45(53)46-20-6-9-26-54(46)64(63)67-60/h1-39,50,59H.
What are the key properties of 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 864.06 g/mol, XLogP of 16.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88905992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).