2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one

C33H33NO — CID 176670415

IUPAC2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
SMILESCC(C)(C)c1ccc2c(c1)c(=O)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H33NO/c1-32(2,3)24-14-18-29-27(20-24)31(35)28-21-25(33(4,5)6)15-19-30(28)34(29)26-16-12-23(13-17-26)22-10-8-7-9-11-22/h7-21H,1-6H3
InChIKeyOOBQDSFNFKOAMG-UHFFFAOYSA-N
MW459.63 g/mol
LogP8.41
Rot. Bonds2

About 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one

2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one (PubChem CID 176670415) has the molecular formula C33H33NO and a molecular weight of 459.63 g/mol. Its IUPAC name is 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one.

Molecular Properties

Compound Name2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
PubChem CID176670415
Molecular FormulaC33H33NO
Molecular Weight459.63 g/mol
Exact Mass459.26
IUPAC Name2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
SMILESCC(C)(C)c1ccc2c(c1)c(=O)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H33NO/c1-32(2,3)24-14-18-29-27(20-24)31(35)28-21-25(33(4,5)6)15-19-30(28)34(29)26-16-12-23(13-17-26)22-10-8-7-9-11-22/h7-21H,1-6H3
InChIKeyOOBQDSFNFKOAMG-UHFFFAOYSA-N
XLogP8.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
11-tert-butyl-5,17-bis(4-carbazol-9-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione;11-tert-butyl-5-(4-carbazol-9-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 159530772
3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050
1-N,3-N-bis[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816003
3,6-ditert-butyl-9-[9-[4-[4-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazole;9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 159940883
1,4-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]furo[3,4-c]furan-3,6-dione
CID 118655447
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one?
The IUPAC name of 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one (CID 176670415) is 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one.
What is the SMILES notation for 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one?
The canonical SMILES for 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one is CC(C)(C)c1ccc2c(c1)c(=O)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one?
The InChIKey is OOBQDSFNFKOAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO/c1-32(2,3)24-14-18-29-27(20-24)31(35)28-21-25(33(4,5)6)15-19-30(28)34(29)26-16-12-23(13-17-26)22-10-8-7-9-11-22/h7-21H,1-6H3.
What are the key properties of 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one?
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one has a molecular weight of 459.63 g/mol, XLogP of 8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one is sourced from PubChem (CID 176670415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).