10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one

C55H36N2O — CID 118448566

IUPAC10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
SMILESO=c1c2cc(-c3ccccc3)ccc2n(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc2)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C55H36N2O/c58-55-49-33-41(37-15-5-1-6-16-37)25-31-52(49)56(53-32-26-42(34-50(53)55)38-17-7-2-8-18-38)44-27-29-45(30-28-44)57-51-24-14-13-23-46(51)48-36-43(39-19-9-3-10-20-39)35-47(54(48)57)40-21-11-4-12-22-40/h1-36H
InChIKeyYSVSBYGJPRMZIT-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.91
Rot. Bonds6

About 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one

10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one (PubChem CID 118448566) has the molecular formula C55H36N2O and a molecular weight of 740.91 g/mol. Its IUPAC name is 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one.

Molecular Properties

Compound Name10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
PubChem CID118448566
Molecular FormulaC55H36N2O
Molecular Weight740.91 g/mol
Exact Mass740.28
IUPAC Name10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
SMILESO=c1c2cc(-c3ccccc3)ccc2n(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc2)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C55H36N2O/c58-55-49-33-41(37-15-5-1-6-16-37)25-31-52(49)56(53-32-26-42(34-50(53)55)38-17-7-2-8-18-38)44-27-29-45(30-28-44)57-51-24-14-13-23-46(51)48-36-43(39-19-9-3-10-20-39)35-47(54(48)57)40-21-11-4-12-22-40/h1-36H
InChIKeyYSVSBYGJPRMZIT-UHFFFAOYSA-N
XLogP13.91
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
11-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390314
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene
CID 121355785
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one?
The IUPAC name of 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one (CID 118448566) is 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one.
What is the SMILES notation for 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one?
The canonical SMILES for 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one is O=c1c2cc(-c3ccccc3)ccc2n(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc2)c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one?
The InChIKey is YSVSBYGJPRMZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O/c58-55-49-33-41(37-15-5-1-6-16-37)25-31-52(49)56(53-32-26-42(34-50(53)55)38-17-7-2-8-18-38)44-27-29-45(30-28-44)57-51-24-14-13-23-46(51)48-36-43(39-19-9-3-10-20-39)35-47(54(48)57)40-21-11-4-12-22-40/h1-36H.
What are the key properties of 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one?
10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one has a molecular weight of 740.91 g/mol, XLogP of 13.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one is sourced from PubChem (CID 118448566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).