N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine

C64H44FN3 — CID 89408848

IUPACN-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine
SMILESFc1ccccc1N(c1ccc(/C=C/c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c(cc2-3)c(-c2ccccc2)c(-c2ccccc2)n4-c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C64H44FN3/c65-58-30-16-17-31-59(58)67(61-32-18-19-41-66-61)52-38-35-45(36-39-52)33-34-46-37-40-53-54-43-55-60(44-57(54)64(56(53)42-46,49-24-10-3-11-25-49)50-26-12-4-13-27-50)68(51-28-14-5-15-29-51)63(48-22-8-2-9-23-48)62(55)47-20-6-1-7-21-47/h1-44H/b34-33+
InChIKeyHNQLLSSQPKOACJ-JEIPZWNWSA-N
MW874.08 g/mol
LogP16.50
Rot. Bonds10

About N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine

N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine (PubChem CID 89408848) has the molecular formula C64H44FN3 and a molecular weight of 874.08 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine
PubChem CID89408848
Molecular FormulaC64H44FN3
Molecular Weight874.08 g/mol
Exact Mass873.35
IUPAC NameN-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine
SMILESFc1ccccc1N(c1ccc(/C=C/c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c(cc2-3)c(-c2ccccc2)c(-c2ccccc2)n4-c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C64H44FN3/c65-58-30-16-17-31-59(58)67(61-32-18-19-41-66-61)52-38-35-45(36-39-52)33-34-46-37-40-53-54-43-55-60(44-57(54)64(56(53)42-46,49-24-10-3-11-25-49)50-26-12-4-13-27-50)68(51-28-14-5-15-29-51)63(48-22-8-2-9-23-48)62(55)47-20-6-1-7-21-47/h1-44H/b34-33+
InChIKeyHNQLLSSQPKOACJ-JEIPZWNWSA-N
XLogP16.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.08
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine?
The IUPAC name of N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine (CID 89408848) is N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine is Fc1ccccc1N(c1ccc(/C=C/c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c(cc2-3)c(-c2ccccc2)c(-c2ccccc2)n4-c2ccccc2)cc1)c1ccccn1.
What is the InChIKey of N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine?
The InChIKey is HNQLLSSQPKOACJ-JEIPZWNWSA-N. The full InChI is InChI=1S/C64H44FN3/c65-58-30-16-17-31-59(58)67(61-32-18-19-41-66-61)52-38-35-45(36-39-52)33-34-46-37-40-53-54-43-55-60(44-57(54)64(56(53)42-46,49-24-10-3-11-25-49)50-26-12-4-13-27-50)68(51-28-14-5-15-29-51)63(48-22-8-2-9-23-48)62(55)47-20-6-1-7-21-47/h1-44H/b34-33+.
What are the key properties of N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine?
N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine has a molecular weight of 874.08 g/mol, XLogP of 16.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[4-[(E)-2-(1,2,3,9,9-pentakis-phenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 89408848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).