10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine

C48H36N4 — CID 122433686

IUPAC10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine
SMILESC1=CC(N2c3ccccc3Cc3ccccc32)CC=C1c1cc(-c2ccnc(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)c2)ccn1
InChIInChI=1S/C48H36N4/c1-5-13-45-37(9-1)29-38-10-2-6-14-46(38)51(45)41-21-17-33(18-22-41)43-31-35(25-27-49-43)36-26-28-50-44(32-36)34-19-23-42(24-20-34)52-47-15-7-3-11-39(47)30-40-12-4-8-16-48(40)52/h1-23,25-28,31-32,42H,24,29-30H2
InChIKeyGMBBVRIXPNFGES-UHFFFAOYSA-N
MW668.84 g/mol
LogP11.64
Rot. Bonds5

About 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine

10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine (PubChem CID 122433686) has the molecular formula C48H36N4 and a molecular weight of 668.84 g/mol. Its IUPAC name is 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine.

Molecular Properties

Compound Name10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine
PubChem CID122433686
Molecular FormulaC48H36N4
Molecular Weight668.84 g/mol
Exact Mass668.29
IUPAC Name10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine
SMILESC1=CC(N2c3ccccc3Cc3ccccc32)CC=C1c1cc(-c2ccnc(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)c2)ccn1
InChIInChI=1S/C48H36N4/c1-5-13-45-37(9-1)29-38-10-2-6-14-46(38)51(45)41-21-17-33(18-22-41)43-31-35(25-27-49-43)36-26-28-50-44(32-36)34-19-23-42(24-20-34)52-47-15-7-3-11-39(47)30-40-12-4-8-16-48(40)52/h1-23,25-28,31-32,42H,24,29-30H2
InChIKeyGMBBVRIXPNFGES-UHFFFAOYSA-N
XLogP11.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine?
The IUPAC name of 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine (CID 122433686) is 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine.
What is the SMILES notation for 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine?
The canonical SMILES for 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine is C1=CC(N2c3ccccc3Cc3ccccc32)CC=C1c1cc(-c2ccnc(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)c2)ccn1.
What is the InChIKey of 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine?
The InChIKey is GMBBVRIXPNFGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4/c1-5-13-45-37(9-1)29-38-10-2-6-14-46(38)51(45)41-21-17-33(18-22-41)43-31-35(25-27-49-43)36-26-28-50-44(32-36)34-19-23-42(24-20-34)52-47-15-7-3-11-39(47)30-40-12-4-8-16-48(40)52/h1-23,25-28,31-32,42H,24,29-30H2.
What are the key properties of 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine?
10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine has a molecular weight of 668.84 g/mol, XLogP of 11.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[2-[4-(9H-acridin-10-yl)cyclohexa-1,5-dien-1-yl]-4-pyridinyl]-2-pyridinyl]phenyl]-9H-acridine is sourced from PubChem (CID 122433686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).