2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine

C62H46N2 — CID 70876887

IUPAC2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine
SMILESC1=CC(C2(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)cc32)=CCC1
InChIInChI=1S/C62H46N2/c1-7-23-47(24-8-1)61(48-25-9-2-10-26-48)53-35-19-21-37-57(53)63(51-31-15-5-16-32-51)59-41-39-45(43-55(59)61)46-40-42-60-56(44-46)62(49-27-11-3-12-28-49,50-29-13-4-14-30-50)54-36-20-22-38-58(54)64(60)52-33-17-6-18-34-52/h1-3,5-13,15-44H,4,14H2
InChIKeyXLUJESQIKDHYGM-UHFFFAOYSA-N
MW819.06 g/mol
LogP15.91
Rot. Bonds7

About 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine

2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine (PubChem CID 70876887) has the molecular formula C62H46N2 and a molecular weight of 819.06 g/mol. Its IUPAC name is 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine.

Molecular Properties

Compound Name2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine
PubChem CID70876887
Molecular FormulaC62H46N2
Molecular Weight819.06 g/mol
Exact Mass818.37
IUPAC Name2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine
SMILESC1=CC(C2(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)cc32)=CCC1
InChIInChI=1S/C62H46N2/c1-7-23-47(24-8-1)61(48-25-9-2-10-26-48)53-35-19-21-37-57(53)63(51-31-15-5-16-32-51)59-41-39-45(43-55(59)61)46-40-42-60-56(44-46)62(49-27-11-3-12-28-49,50-29-13-4-14-30-50)54-36-20-22-38-58(54)64(60)52-33-17-6-18-34-52/h1-3,5-13,15-44H,4,14H2
InChIKeyXLUJESQIKDHYGM-UHFFFAOYSA-N
XLogP15.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.06
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine with MolForge

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Related Compounds

10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 170041138
10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine
CID 89111204
10-phenyl-2-(10'-phenylspiro[1,2-dihydrofluorene-9,9'-acridine]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 142356343
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
13,13-diphenyl-5-(9,9,10-triphenylacridin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 71036448
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
3-(3-bromophenyl)-9,9,10-triphenylacridine
CID 121259219
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178

Frequently Asked Questions

What is the IUPAC name of 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine?
The IUPAC name of 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine (CID 70876887) is 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine.
What is the SMILES notation for 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine?
The canonical SMILES for 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine is C1=CC(C2(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)cc32)=CCC1.
What is the InChIKey of 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine?
The InChIKey is XLUJESQIKDHYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2/c1-7-23-47(24-8-1)61(48-25-9-2-10-26-48)53-35-19-21-37-57(53)63(51-31-15-5-16-32-51)59-41-39-45(43-55(59)61)46-40-42-60-56(44-46)62(49-27-11-3-12-28-49,50-29-13-4-14-30-50)54-36-20-22-38-58(54)64(60)52-33-17-6-18-34-52/h1-3,5-13,15-44H,4,14H2.
What are the key properties of 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine?
2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine has a molecular weight of 819.06 g/mol, XLogP of 15.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine is sourced from PubChem (CID 70876887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).