2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile

C37H22N4 — CID 140769533

IUPAC2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
SMILES[C-]#[N+]c1ccnc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cc(C#N)ccn4)ccc2-3)c1
InChIInChI=1S/C37H22N4/c1-39-30-17-19-41-36(23-30)27-13-15-32-31-14-12-26(35-20-25(24-38)16-18-40-35)21-33(31)37(34(32)22-27,28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-23H
InChIKeyXVVSREWKQGFBNL-UHFFFAOYSA-N
MW522.61 g/mol
LogP8.60
Rot. Bonds4

About 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile

2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile (PubChem CID 140769533) has the molecular formula C37H22N4 and a molecular weight of 522.61 g/mol. Its IUPAC name is 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
PubChem CID140769533
Molecular FormulaC37H22N4
Molecular Weight522.61 g/mol
Exact Mass522.18
IUPAC Name2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
SMILES[C-]#[N+]c1ccnc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cc(C#N)ccn4)ccc2-3)c1
InChIInChI=1S/C37H22N4/c1-39-30-17-19-41-36(23-30)27-13-15-32-31-14-12-26(35-20-25(24-38)16-18-40-35)21-33(31)37(34(32)22-27,28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-23H
InChIKeyXVVSREWKQGFBNL-UHFFFAOYSA-N
XLogP8.60
TPSA53.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile
CID 140769226
2-[4-[6-[4-(4-isocyano-2-pyridinyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]pyridine-4-carbonitrile
CID 140769156
2-[3-[8-[3-(4-isocyano-2-pyridinyl)phenyl]dibenzofuran-2-yl]phenyl]pyridine-4-carbonitrile
CID 140769444
2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
CID 144925453
2-[3-[15-[3-(4-isocyano-2-pyridinyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]pyridine-4-carbonitrile
CID 140769347
2-[6-[10-[5-(4-isocyano-2-pyridinyl)-2-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]pyridine-4-carbonitrile
CID 140769539
2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397955
7-[(7-isocyano-9,9-diphenylfluoren-2-yl)-phenylphosphoryl]-9,9-diphenylfluorene-2-carbonitrile
CID 140877500
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 162776206
9,9-diphenyl-7-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 158885257
9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
CID 155767759
4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397477

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile (CID 140769533) is 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile is [C-]#[N+]c1ccnc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cc(C#N)ccn4)ccc2-3)c1.
What is the InChIKey of 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile?
The InChIKey is XVVSREWKQGFBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4/c1-39-30-17-19-41-36(23-30)27-13-15-32-31-14-12-26(35-20-25(24-38)16-18-40-35)21-33(31)37(34(32)22-27,28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-23H.
What are the key properties of 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile?
2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile has a molecular weight of 522.61 g/mol, XLogP of 8.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 140769533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).