9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole

C49H30N2 — CID 67690348

IUPAC9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESc1ccc2c(c1)-c1c(-n3c4ccccc4c4ccccc43)cccc1C21c2ccccc2-c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C49H30N2/c1-7-21-37-35(19-1)47-39(23-13-29-45(47)50-41-25-9-3-15-31(41)32-16-4-10-26-42(32)50)49(37)38-22-8-2-20-36(38)48-40(49)24-14-30-46(48)51-43-27-11-5-17-33(43)34-18-6-12-28-44(34)51/h1-30H
InChIKeyZRPUBDIMNBLJEU-UHFFFAOYSA-N
MW646.79 g/mol
LogP12.22
Rot. Bonds2

About 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole

9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole (PubChem CID 67690348) has the molecular formula C49H30N2 and a molecular weight of 646.79 g/mol. Its IUPAC name is 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole.

Molecular Properties

Compound Name9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole
PubChem CID67690348
Molecular FormulaC49H30N2
Molecular Weight646.79 g/mol
Exact Mass646.24
IUPAC Name9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESc1ccc2c(c1)-c1c(-n3c4ccccc4c4ccccc43)cccc1C21c2ccccc2-c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C49H30N2/c1-7-21-37-35(19-1)47-39(23-13-29-45(47)50-41-25-9-3-15-31(41)32-16-4-10-26-42(32)50)49(37)38-22-8-2-20-36(38)48-40(49)24-14-30-46(48)51-43-27-11-5-17-33(43)34-18-6-12-28-44(34)51/h1-30H
InChIKeyZRPUBDIMNBLJEU-UHFFFAOYSA-N
XLogP12.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole?
The IUPAC name of 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole (CID 67690348) is 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole.
What is the SMILES notation for 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole?
The canonical SMILES for 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole is c1ccc2c(c1)-c1c(-n3c4ccccc4c4ccccc43)cccc1C21c2ccccc2-c2c(-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole?
The InChIKey is ZRPUBDIMNBLJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2/c1-7-21-37-35(19-1)47-39(23-13-29-45(47)50-41-25-9-3-15-31(41)32-16-4-10-26-42(32)50)49(37)38-22-8-2-20-36(38)48-40(49)24-14-30-46(48)51-43-27-11-5-17-33(43)34-18-6-12-28-44(34)51/h1-30H.
What are the key properties of 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole?
9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole has a molecular weight of 646.79 g/mol, XLogP of 12.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4'-carbazol-9-yl-9,9'-spirobi[fluorene]-4-yl)carbazole is sourced from PubChem (CID 67690348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).