5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile

C41H24N2 — CID 118397292

IUPAC5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C41H24N2/c42-23-26-20-31(25-43-24-26)29-10-7-9-28(21-29)30-17-18-38-35(22-30)40-32-11-2-1-8-27(32)16-19-39(40)41(38)36-14-5-3-12-33(36)34-13-4-6-15-37(34)41/h1-22,24-25H
InChIKeyPOSJTUNAZNIBPJ-UHFFFAOYSA-N
MW544.66 g/mol
LogP9.78
Rot. Bonds2

About 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile

5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile (PubChem CID 118397292) has the molecular formula C41H24N2 and a molecular weight of 544.66 g/mol. Its IUPAC name is 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile
PubChem CID118397292
Molecular FormulaC41H24N2
Molecular Weight544.66 g/mol
Exact Mass544.19
IUPAC Name5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C41H24N2/c42-23-26-20-31(25-43-24-26)29-10-7-9-28(21-29)30-17-18-38-35(22-30)40-32-11-2-1-8-27(32)16-19-39(40)41(38)36-14-5-3-12-33(36)34-13-4-6-15-37(34)41/h1-22,24-25H
InChIKeyPOSJTUNAZNIBPJ-UHFFFAOYSA-N
XLogP9.78
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile
CID 118397562
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile
CID 126502531
5-[9-(5-cyano-3-pyridinyl)spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl]pyridine-3-carbonitrile
CID 118397676
5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile
CID 126542142
4-[4-[4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 171588962
17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961837
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249
2-[3-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450602
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-carbonitrile
CID 166796549
4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134574240
5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397667
17'-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 161366156

Frequently Asked Questions

What is the IUPAC name of 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile (CID 118397292) is 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)c2)c1.
What is the InChIKey of 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is POSJTUNAZNIBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2/c42-23-26-20-31(25-43-24-26)29-10-7-9-28(21-29)30-17-18-38-35(22-30)40-32-11-2-1-8-27(32)16-19-39(40)41(38)36-14-5-3-12-33(36)34-13-4-6-15-37(34)41/h1-22,24-25H.
What are the key properties of 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile?
5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 544.66 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118397292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).