3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine

C59H35N3 — CID 58410410

IUPAC3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C59H35N3/c1-3-22-47-40(16-1)41-17-2-4-23-48(41)58-57(47)60-35-54(61-58)38-15-13-14-36(32-38)37-28-31-56-49(33-37)46-21-8-12-27-55(46)62(56)39-29-30-45-44-20-7-11-26-52(44)59(53(45)34-39)50-24-9-5-18-42(50)43-19-6-10-25-51(43)59/h1-35H
InChIKeyBBSOYXKCHDKSEV-UHFFFAOYSA-N
MW785.95 g/mol
LogP14.71
Rot. Bonds3

About 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 58410410) has the molecular formula C59H35N3 and a molecular weight of 785.95 g/mol. Its IUPAC name is 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID58410410
Molecular FormulaC59H35N3
Molecular Weight785.95 g/mol
Exact Mass785.28
IUPAC Name3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C59H35N3/c1-3-22-47-40(16-1)41-17-2-4-23-48(41)58-57(47)60-35-54(61-58)38-15-13-14-36(32-38)37-28-31-56-49(33-37)46-21-8-12-27-55(46)62(56)39-29-30-45-44-20-7-11-26-52(44)59(53(45)34-39)50-24-9-5-18-42(50)43-19-6-10-25-51(43)59/h1-35H
InChIKeyBBSOYXKCHDKSEV-UHFFFAOYSA-N
XLogP14.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.95
LogP ≤ 514.71
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-[3-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 58410375
3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063804
3-[3,5-di(carbazol-9-yl)phenyl]-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine
CID 89475650
3-[3-[3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063838
3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064106
3-[3-[4-[4-(3-naphthalen-1-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063988
3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)carbazol-9-yl]phenyl]-9,10-dihydrophenanthro[9,10-b]pyrazine
CID 163802532
3-[3-[4-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063944
3-[4-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063891
3-[3-[3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064112
3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063733
3-[3-[6-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063863

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 58410410) is 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine is c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.
What is the InChIKey of 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is BBSOYXKCHDKSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3/c1-3-22-47-40(16-1)41-17-2-4-23-48(41)58-57(47)60-35-54(61-58)38-15-13-14-36(32-38)37-28-31-56-49(33-37)46-21-8-12-27-55(46)62(56)39-29-30-45-44-20-7-11-26-52(44)59(53(45)34-39)50-24-9-5-18-42(50)43-19-6-10-25-51(43)59/h1-35H.
What are the key properties of 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine?
3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 785.95 g/mol, XLogP of 14.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58410410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).