2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine

C48H38N2 — CID 142385134

IUPAC2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
SMILESC/C=C\C(=C/CC)c1cc(-c2ccccc2)cc(-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccn3)cc2)n1
InChIInChI=1S/C48H38N2/c1-3-15-36(16-4-2)45-32-39(34-17-7-5-8-18-34)33-46(50-45)37-26-24-35(25-27-37)38-28-29-44-42(31-38)41-21-11-12-22-43(41)48(44,40-19-9-6-10-20-40)47-23-13-14-30-49-47/h3,5-33H,4H2,1-2H3/b15-3-,36-16+
InChIKeyNDWAOLSQVUQMLG-QRHVJNALSA-N
MW642.85 g/mol
LogP12.21
Rot. Bonds8

About 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine

2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine (PubChem CID 142385134) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
PubChem CID142385134
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC Name2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
SMILESC/C=C\C(=C/CC)c1cc(-c2ccccc2)cc(-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccn3)cc2)n1
InChIInChI=1S/C48H38N2/c1-3-15-36(16-4-2)45-32-39(34-17-7-5-8-18-34)33-46(50-45)37-26-24-35(25-27-37)38-28-29-44-42(31-38)41-21-11-12-22-43(41)48(44,40-19-9-6-10-20-40)47-23-13-14-30-49-47/h3,5-33H,4H2,1-2H3/b15-3-,36-16+
InChIKeyNDWAOLSQVUQMLG-QRHVJNALSA-N
XLogP12.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
CID 142384952
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003
N-[(3E,5Z,8E,9Z)-4-ethenyl-8-ethylidene-7-methylidenedodeca-3,5,9,11-tetraen-5-yl]methanimine;2-[3-(4-ethylphenyl)-9-phenylfluoren-9-yl]pyridine
CID 142385258
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134272105
4-phenyl-2-[2-(9-phenylfluoren-9-yl)-4-pyridinyl]-6-(3-phenylphenyl)pyridine
CID 142356444
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
3,9,9-triphenylfluorene
CID 140844354
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine
CID 135247145
2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158766572

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine?
The IUPAC name of 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine (CID 142385134) is 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine.
What is the SMILES notation for 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine?
The canonical SMILES for 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine is C/C=C\C(=C/CC)c1cc(-c2ccccc2)cc(-c2ccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccn3)cc2)n1.
What is the InChIKey of 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine?
The InChIKey is NDWAOLSQVUQMLG-QRHVJNALSA-N. The full InChI is InChI=1S/C48H38N2/c1-3-15-36(16-4-2)45-32-39(34-17-7-5-8-18-34)33-46(50-45)37-26-24-35(25-27-37)38-28-29-44-42(31-38)41-21-11-12-22-43(41)48(44,40-19-9-6-10-20-40)47-23-13-14-30-49-47/h3,5-33H,4H2,1-2H3/b15-3-,36-16+.
What are the key properties of 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine?
2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine has a molecular weight of 642.85 g/mol, XLogP of 12.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E)-hepta-2,4-dien-4-yl]-4-phenyl-6-[4-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]pyridine is sourced from PubChem (CID 142385134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).