2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile

C46H29N3 — CID 118397955

IUPAC2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)c5ccccc5c3-4)cn2)c1
InChIInChI=1S/C46H29N3/c47-29-31-24-25-48-44(26-31)43-23-21-34(30-49-43)33-20-22-39-41(27-33)46(35-14-6-2-7-15-35,36-16-8-3-9-17-36)42-28-40(32-12-4-1-5-13-32)37-18-10-11-19-38(37)45(39)42/h1-28,30H
InChIKeyBYBOXFTZONGBKX-UHFFFAOYSA-N
MW623.76 g/mol
LogP10.87
Rot. Bonds5

About 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile

2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile (PubChem CID 118397955) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
PubChem CID118397955
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)c5ccccc5c3-4)cn2)c1
InChIInChI=1S/C46H29N3/c47-29-31-24-25-48-44(26-31)43-23-21-34(30-49-43)33-20-22-39-41(27-33)46(35-14-6-2-7-15-35,36-16-8-3-9-17-36)42-28-40(32-12-4-1-5-13-32)37-18-10-11-19-38(37)45(39)42/h1-28,30H
InChIKeyBYBOXFTZONGBKX-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

Analyze 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile with MolForge

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Related Compounds

2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118398145
4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
2-[5-[9-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]pyridine-4-carbonitrile
CID 126542247
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
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118398141
2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 135250034
2-[5-[3,5-bis[6-(4-cyano-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397873
2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397550
2-[5-[14-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]-10,10-dimethyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397272

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile (CID 118397955) is 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)c5ccccc5c3-4)cn2)c1.
What is the InChIKey of 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile?
The InChIKey is BYBOXFTZONGBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c47-29-31-24-25-48-44(26-31)43-23-21-34(30-49-43)33-20-22-39-41(27-33)46(35-14-6-2-7-15-35,36-16-8-3-9-17-36)42-28-40(32-12-4-1-5-13-32)37-18-10-11-19-38(37)45(39)42/h1-28,30H.
What are the key properties of 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile?
2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-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 2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile is sourced from PubChem (CID 118397955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).