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

C51H28N4 — CID 90167101

IUPAC2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C51H28N4/c52-29-31-17-21-35-36-22-18-32(30-53)26-44(36)51(43(35)25-31)45-27-33(54-47-13-5-1-9-39(47)40-10-2-6-14-48(40)54)19-23-37(45)38-24-20-34(28-46(38)51)55-49-15-7-3-11-41(49)42-12-4-8-16-50(42)55/h1-28H
InChIKeyPAZMOWPSUICFAK-UHFFFAOYSA-N
MW696.81 g/mol
LogP11.97
Rot. Bonds2

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

2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile (PubChem CID 90167101) has the molecular formula C51H28N4 and a molecular weight of 696.81 g/mol. Its IUPAC name is 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile.

Molecular Properties

Compound Name2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
PubChem CID90167101
Molecular FormulaC51H28N4
Molecular Weight696.81 g/mol
Exact Mass696.23
IUPAC Name2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C51H28N4/c52-29-31-17-21-35-36-22-18-32(30-53)26-44(36)51(43(35)25-31)45-27-33(54-47-13-5-1-9-39(47)40-10-2-6-14-48(40)54)19-23-37(45)38-24-20-34(28-46(38)51)55-49-15-7-3-11-41(49)42-12-4-8-16-50(42)55/h1-28H
InChIKeyPAZMOWPSUICFAK-UHFFFAOYSA-N
XLogP11.97
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.81
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile?
The IUPAC name of 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile (CID 90167101) is 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile.
What is the SMILES notation for 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile?
The canonical SMILES for 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile is N#Cc1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile?
The InChIKey is PAZMOWPSUICFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4/c52-29-31-17-21-35-36-22-18-32(30-53)26-44(36)51(43(35)25-31)45-27-33(54-47-13-5-1-9-39(47)40-10-2-6-14-48(40)54)19-23-37(45)38-24-20-34(28-46(38)51)55-49-15-7-3-11-41(49)42-12-4-8-16-50(42)55/h1-28H.
What are the key properties of 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile?
2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile has a molecular weight of 696.81 g/mol, XLogP of 11.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile is sourced from PubChem (CID 90167101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).