9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole

C49H30N2 — CID 21032473

IUPAC9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C49H30N2/c1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)43-29-31(50-45-21-9-3-15-37(45)38-16-4-10-22-46(38)50)25-27-35(43)36-28-26-32(30-44(36)49)51-47-23-11-5-17-39(47)40-18-6-12-24-48(40)51/h1-30H
InChIKeyUDECBOWBCXTHEY-UHFFFAOYSA-N
MW646.79 g/mol
LogP12.22
Rot. Bonds2

About 9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole

9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole (PubChem CID 21032473) has the molecular formula C49H30N2 and a molecular weight of 646.79 g/mol. Its IUPAC name is 9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole.

Molecular Properties

Compound Name9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
PubChem CID21032473
Molecular FormulaC49H30N2
Molecular Weight646.79 g/mol
Exact Mass646.24
IUPAC Name9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C49H30N2/c1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)43-29-31(50-45-21-9-3-15-37(45)38-16-4-10-22-46(38)50)25-27-35(43)36-28-26-32(30-44(36)49)51-47-23-11-5-17-39(47)40-18-6-12-24-48(40)51/h1-30H
InChIKeyUDECBOWBCXTHEY-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-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole?
The IUPAC name of 9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole (CID 21032473) is 9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole.
What is the SMILES notation for 9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole?
The canonical SMILES for 9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole is c1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole?
The InChIKey is UDECBOWBCXTHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2/c1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)43-29-31(50-45-21-9-3-15-37(45)38-16-4-10-22-46(38)50)25-27-35(43)36-28-26-32(30-44(36)49)51-47-23-11-5-17-39(47)40-18-6-12-24-48(40)51/h1-30H.
What are the key properties of 9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole?
9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-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-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole is sourced from PubChem (CID 21032473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).