5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile

C46H29N3 — CID 118398141

IUPAC5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccccc5)cc3C4(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C46H29N3/c47-28-31-25-34(30-48-29-31)43-21-12-22-44(49-43)40-27-42-45(38-20-11-10-19-37(38)40)39-24-23-33(32-13-4-1-5-14-32)26-41(39)46(42,35-15-6-2-7-16-35)36-17-8-3-9-18-36/h1-27,29-30H
InChIKeyKWSXAVLIVZBXAG-UHFFFAOYSA-N
MW623.76 g/mol
LogP10.87
Rot. Bonds5

About 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile

5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 118398141) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID118398141
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccccc5)cc3C4(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C46H29N3/c47-28-31-25-34(30-48-29-31)43-21-12-22-44(49-43)40-27-42-45(38-20-11-10-19-37(38)40)39-24-23-33(32-13-4-1-5-14-32)26-41(39)46(42,35-15-6-2-7-16-35)36-17-8-3-9-18-36/h1-27,29-30H
InChIKeyKWSXAVLIVZBXAG-UHFFFAOYSA-N
XLogP10.87
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397667
5-[6-[7-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397708
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile
CID 118397562
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
2-[5-(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)-2-pyridinyl]pyridine-4-carbonitrile;4-[6-(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)-2-pyridinyl]pyridine-2-carbonitrile;5-[6-(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)-2-pyridinyl]pyridine-3-carbonitrile
CID 158263624
2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397955
5-[6-(7-phenyldibenzothiophen-3-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397898
2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118398145
2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 135250011
4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019

Frequently Asked Questions

What is the IUPAC name of 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile (CID 118398141) is 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3ccc(-c5ccccc5)cc3C4(c3ccccc3)c3ccccc3)n2)c1.
What is the InChIKey of 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is KWSXAVLIVZBXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c47-28-31-25-34(30-48-29-31)43-21-12-22-44(49-43)40-27-42-45(38-20-11-10-19-37(38)40)39-24-23-33(32-13-4-1-5-14-32)26-41(39)46(42,35-15-6-2-7-16-35)36-17-8-3-9-18-36/h1-27,29-30H.
What are the key properties of 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile?
5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 623.76 g/mol, XLogP of 10.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118398141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).