10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine

C55H45N — CID 169287507

IUPAC10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2C(c2ccccc2-c2cc(-c3ccccc3)cc(-c3ccccc3N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C55H45N/c1-54(2)46-27-13-10-25-44(46)53(45-26-11-14-28-47(45)54)43-24-9-8-22-41(43)39-34-38(37-20-6-5-7-21-37)35-40(36-39)42-23-12-17-31-50(42)56-51-32-18-15-29-48(51)55(3,4)49-30-16-19-33-52(49)56/h5-36,53H,1-4H3
InChIKeyKOLNLCKGSOWPFO-UHFFFAOYSA-N
MW719.97 g/mol
LogP14.62
Rot. Bonds5

About 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine

10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine (PubChem CID 169287507) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine
PubChem CID169287507
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC Name10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2C(c2ccccc2-c2cc(-c3ccccc3)cc(-c3ccccc3N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C55H45N/c1-54(2)46-27-13-10-25-44(46)53(45-26-11-14-28-47(45)54)43-24-9-8-22-41(43)39-34-38(37-20-6-5-7-21-37)35-40(36-39)42-23-12-17-31-50(42)56-51-32-18-15-29-48(51)55(3,4)49-30-16-19-33-52(49)56/h5-36,53H,1-4H3
InChIKeyKOLNLCKGSOWPFO-UHFFFAOYSA-N
XLogP14.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine with MolForge

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Related Compounds

10-[4-[6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylacridine
CID 121380931
10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine;10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 157103657
10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine
CID 153320402
10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine
CID 153287580
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
CID 129258942
21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 134509799
5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543342
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832

Frequently Asked Questions

What is the IUPAC name of 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine (CID 169287507) is 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2C(c2ccccc2-c2cc(-c3ccccc3)cc(-c3ccccc3N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine?
The InChIKey is KOLNLCKGSOWPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-54(2)46-27-13-10-25-44(46)53(45-26-11-14-28-47(45)54)43-24-9-8-22-41(43)39-34-38(37-20-6-5-7-21-37)35-40(36-39)42-23-12-17-31-50(42)56-51-32-18-15-29-48(51)55(3,4)49-30-16-19-33-52(49)56/h5-36,53H,1-4H3.
What are the key properties of 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine?
10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine has a molecular weight of 719.97 g/mol, XLogP of 14.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 169287507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).