4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile

C41H26N2 — CID 118398099

IUPAC4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)cc2)ccn1
InChIInChI=1S/C41H26N2/c42-27-35-25-32(23-24-43-35)29-17-15-28(16-18-29)31-19-21-37-39(26-31)41(33-10-3-1-4-11-33,34-12-5-2-6-13-34)38-22-20-30-9-7-8-14-36(30)40(37)38/h1-26H
InChIKeyBCCJXEAVIGSIBQ-UHFFFAOYSA-N
MW546.67 g/mol
LogP9.80
Rot. Bonds4

About 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile

4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile (PubChem CID 118398099) has the molecular formula C41H26N2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile
PubChem CID118398099
Molecular FormulaC41H26N2
Molecular Weight546.67 g/mol
Exact Mass546.21
IUPAC Name4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)cc2)ccn1
InChIInChI=1S/C41H26N2/c42-27-35-25-32(23-24-43-35)29-17-15-28(16-18-29)31-19-21-37-39(26-31)41(33-10-3-1-4-11-33,34-12-5-2-6-13-34)38-22-20-30-9-7-8-14-36(30)40(37)38/h1-26H
InChIKeyBCCJXEAVIGSIBQ-UHFFFAOYSA-N
XLogP9.80
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019
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
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
4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397477
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397460
4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile
CID 157459321
9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034390
4-[4-[4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 171588962
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile
CID 118397566
N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline
CID 135299717

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile (CID 118398099) is 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3-4)cc2)ccn1.
What is the InChIKey of 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile?
The InChIKey is BCCJXEAVIGSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2/c42-27-35-25-32(23-24-43-35)29-17-15-28(16-18-29)31-19-21-37-39(26-31)41(33-10-3-1-4-11-33,34-12-5-2-6-13-34)38-22-20-30-9-7-8-14-36(30)40(37)38/h1-26H.
What are the key properties of 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile?
4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile has a molecular weight of 546.67 g/mol, XLogP of 9.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 118398099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).