4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile

C41H24N2 — CID 118397566

IUPAC4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3cc4c(c5ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)ccn1
InChIInChI=1S/C41H24N2/c42-25-29-23-28(21-22-43-29)26-17-19-27(20-18-26)35-24-39-40(33-12-2-1-9-30(33)35)34-13-5-8-16-38(34)41(39)36-14-6-3-10-31(36)32-11-4-7-15-37(32)41/h1-24H
InChIKeyXAPZFZZYQCKJDV-UHFFFAOYSA-N
MW544.66 g/mol
LogP9.78
Rot. Bonds2

About 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile

4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile (PubChem CID 118397566) has the molecular formula C41H24N2 and a molecular weight of 544.66 g/mol. Its IUPAC name is 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile
PubChem CID118397566
Molecular FormulaC41H24N2
Molecular Weight544.66 g/mol
Exact Mass544.19
IUPAC Name4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3cc4c(c5ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)ccn1
InChIInChI=1S/C41H24N2/c42-25-29-23-28(21-22-43-29)26-17-19-27(20-18-26)35-24-39-40(33-12-2-1-9-30(33)35)34-13-5-8-16-38(34)41(39)36-14-6-3-10-31(36)32-11-4-7-15-37(32)41/h1-24H
InChIKeyXAPZFZZYQCKJDV-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

4-[4-[15'-[4-(2-isocyano-4-pyridinyl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]pyridine-2-carbonitrile
CID 140769436
4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397326
4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019
4-[15'-(2-isocyano-4-pyridinyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]pyridine-2-carbonitrile
CID 140769244
4-[4-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)phenyl]pyridine-2-carbonitrile
CID 118398094
4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397477
4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]pyridine-2-carbonitrile
CID 144924779
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397460
4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile
CID 118398099
4-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)pyridine-2-carbonitrile
CID 126502555
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
4-[3-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)phenyl]pyridine-2-carbonitrile
CID 118398092

Frequently Asked Questions

What is the IUPAC name of 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile (CID 118397566) is 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(-c3cc4c(c5ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)ccn1.
What is the InChIKey of 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile?
The InChIKey is XAPZFZZYQCKJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2/c42-25-29-23-28(21-22-43-29)26-17-19-27(20-18-26)35-24-39-40(33-12-2-1-9-30(33)35)34-13-5-8-16-38(34)41(39)36-14-6-3-10-31(36)32-11-4-7-15-37(32)41/h1-24H.
What are the key properties of 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile?
4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-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 4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118397566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).