(3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile

C36H27N3 — CID 144924992

IUPAC(3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile
SMILESN#CC/C=C(\C=C/N)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)n1
InChIInChI=1S/C36H27N3/c37-23-10-11-26(22-24-38)34-18-9-19-35(39-34)27-20-21-31-30-16-7-8-17-32(30)36(33(31)25-27,28-12-3-1-4-13-28)29-14-5-2-6-15-29/h1-9,11-22,24-25H,10,38H2/b24-22-,26-11+
InChIKeyNMLACOKXOLYXKT-SOCPXQQVSA-N
MW501.63 g/mol
LogP7.88
Rot. Bonds6

About (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile

(3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile (PubChem CID 144924992) has the molecular formula C36H27N3 and a molecular weight of 501.63 g/mol. Its IUPAC name is (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile.

Molecular Properties

Compound Name(3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile
PubChem CID144924992
Molecular FormulaC36H27N3
Molecular Weight501.63 g/mol
Exact Mass501.22
IUPAC Name(3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile
SMILESN#CC/C=C(\C=C/N)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)n1
InChIInChI=1S/C36H27N3/c37-23-10-11-26(22-24-38)34-18-9-19-35(39-34)27-20-21-31-30-16-7-8-17-32(30)36(33(31)25-27,28-12-3-1-4-13-28)29-14-5-2-6-15-29/h1-9,11-22,24-25H,10,38H2/b24-22-,26-11+
InChIKeyNMLACOKXOLYXKT-SOCPXQQVSA-N
XLogP7.88
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(9,9-diphenylfluoren-2-yl)pyridine
CID 164803869
5-[6-[7-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397708
(3Z)-5-(7,9,9-triphenylfluoren-2-yl)hexa-3,5-dienenitrile
CID 144924807
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
CID 144925453
2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
CID 142385446
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097
2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151481
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane
CID 142385444

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile?
The IUPAC name of (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile (CID 144924992) is (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile.
What is the SMILES notation for (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile?
The canonical SMILES for (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile is N#CC/C=C(\C=C/N)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)n1.
What is the InChIKey of (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile?
The InChIKey is NMLACOKXOLYXKT-SOCPXQQVSA-N. The full InChI is InChI=1S/C36H27N3/c37-23-10-11-26(22-24-38)34-18-9-19-35(39-34)27-20-21-31-30-16-7-8-17-32(30)36(33(31)25-27,28-12-3-1-4-13-28)29-14-5-2-6-15-29/h1-9,11-22,24-25H,10,38H2/b24-22-,26-11+.
What are the key properties of (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile?
(3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile has a molecular weight of 501.63 g/mol, XLogP of 7.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile is sourced from PubChem (CID 144924992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).