9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole

C67H44N2 — CID 129225898

IUPAC9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3c(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)cccc23)CC1
InChIInChI=1S/C67H44N2/c1-3-19-47(20-4-1)68-63-35-15-10-26-55(63)57-30-17-28-49(65(57)68)45-39-44(40-46(41-45)50-29-18-31-58-56-27-11-16-36-64(56)69(66(50)58)48-21-5-2-6-22-48)43-37-38-54-53-25-9-14-34-61(53)67(62(54)42-43)59-32-12-7-23-51(59)52-24-8-13-33-60(52)67/h1-15,17-35,37-42H,16,36H2
InChIKeyWGLXJWDYZJVOGO-UHFFFAOYSA-N
MW877.10 g/mol
LogP17.03
Rot. Bonds5

About 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole

9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole (PubChem CID 129225898) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
PubChem CID129225898
Molecular FormulaC67H44N2
Molecular Weight877.10 g/mol
Exact Mass876.35
IUPAC Name9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3c(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)cccc23)CC1
InChIInChI=1S/C67H44N2/c1-3-19-47(20-4-1)68-63-35-15-10-26-55(63)57-30-17-28-49(65(57)68)45-39-44(40-46(41-45)50-29-18-31-58-56-27-11-16-36-64(56)69(66(50)58)48-21-5-2-6-22-48)43-37-38-54-53-25-9-14-34-61(53)67(62(54)42-43)59-32-12-7-23-51(59)52-24-8-13-33-60(52)67/h1-15,17-35,37-42H,16,36H2
InChIKeyWGLXJWDYZJVOGO-UHFFFAOYSA-N
XLogP17.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole?
The IUPAC name of 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole (CID 129225898) is 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole?
The canonical SMILES for 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole is C1=Cc2c(n(-c3ccccc3)c3c(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)cccc23)CC1.
What is the InChIKey of 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole?
The InChIKey is WGLXJWDYZJVOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-3-19-47(20-4-1)68-63-35-15-10-26-55(63)57-30-17-28-49(65(57)68)45-39-44(40-46(41-45)50-29-18-31-58-56-27-11-16-36-64(56)69(66(50)58)48-21-5-2-6-22-48)43-37-38-54-53-25-9-14-34-61(53)67(62(54)42-43)59-32-12-7-23-51(59)52-24-8-13-33-60(52)67/h1-15,17-35,37-42H,16,36H2.
What are the key properties of 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole?
9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole has a molecular weight of 877.10 g/mol, XLogP of 17.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole is sourced from PubChem (CID 129225898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).