9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine

C49H35N — CID 141492904

IUPAC9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3N4)cc2)cc1
InChIInChI=1S/C49H35N/c1-5-13-35(14-6-1)37-21-25-39(26-22-37)41-29-31-47-45(33-41)49(43-17-9-3-10-18-43,44-19-11-4-12-20-44)46-34-42(30-32-48(46)50-47)40-27-23-38(24-28-40)36-15-7-2-8-16-36/h1-34,50H
InChIKeyFGRNNDDUFVWYDF-UHFFFAOYSA-N
MW637.83 g/mol
LogP12.79
Rot. Bonds6

About 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine

9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine (PubChem CID 141492904) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine.

Molecular Properties

Compound Name9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine
PubChem CID141492904
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC Name9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3N4)cc2)cc1
InChIInChI=1S/C49H35N/c1-5-13-35(14-6-1)37-21-25-39(26-22-37)41-29-31-47-45(33-41)49(43-17-9-3-10-18-43,44-19-11-4-12-20-44)46-34-42(30-32-48(46)50-47)40-27-23-38(24-28-40)36-15-7-2-8-16-36/h1-34,50H
InChIKeyFGRNNDDUFVWYDF-UHFFFAOYSA-N
XLogP12.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 512.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine
CID 141492916
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
3,9,9-triphenylfluorene
CID 140844354
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2-iodo-7,9,9-triphenylfluorene
CID 149383994
4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 168750793
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene
CID 170120597
[7-(9,9-diphenyl-7-trimethylsilylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-trimethylsilane
CID 102177279
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine?
The IUPAC name of 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine (CID 141492904) is 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine.
What is the SMILES notation for 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine?
The canonical SMILES for 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine is c1ccc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3N4)cc2)cc1.
What is the InChIKey of 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine?
The InChIKey is FGRNNDDUFVWYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-5-13-35(14-6-1)37-21-25-39(26-22-37)41-29-31-47-45(33-41)49(43-17-9-3-10-18-43,44-19-11-4-12-20-44)46-34-42(30-32-48(46)50-47)40-27-23-38(24-28-40)36-15-7-2-8-16-36/h1-34,50H.
What are the key properties of 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine?
9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine has a molecular weight of 637.83 g/mol, XLogP of 12.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine is sourced from PubChem (CID 141492904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).