8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole

C59H42N4 — CID 134431501

IUPAC8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)n5)c34)cc21
InChIInChI=1S/C59H42N4/c1-59(2)49-27-14-15-28-53(49)62(45-22-10-5-11-23-45)54-35-34-44(37-50(54)59)47-25-16-26-48-56-46-24-13-12-19-41(46)33-36-55(56)63(57(47)48)58-60-51(42-20-8-4-9-21-42)38-52(61-58)43-31-29-40(30-32-43)39-17-6-3-7-18-39/h3-38H,1-2H3
InChIKeyRBIKWNWMORSFCK-UHFFFAOYSA-N
MW807.01 g/mol
LogP15.50
Rot. Bonds6

About 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole (PubChem CID 134431501) has the molecular formula C59H42N4 and a molecular weight of 807.01 g/mol. Its IUPAC name is 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
PubChem CID134431501
Molecular FormulaC59H42N4
Molecular Weight807.01 g/mol
Exact Mass806.34
IUPAC Name8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)n5)c34)cc21
InChIInChI=1S/C59H42N4/c1-59(2)49-27-14-15-28-53(49)62(45-22-10-5-11-23-45)54-35-34-44(37-50(54)59)47-25-16-26-48-56-46-24-13-12-19-41(46)33-36-55(56)63(57(47)48)58-60-51(42-20-8-4-9-21-42)38-52(61-58)43-31-29-40(30-32-43)39-17-6-3-7-18-39/h3-38H,1-2H3
InChIKeyRBIKWNWMORSFCK-UHFFFAOYSA-N
XLogP15.50
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 134431640
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 134431940
7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
CID 131998839
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369
5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene
CID 121442649
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-8-yl]phenothiazine
CID 134432136
10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571600

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole?
The IUPAC name of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole (CID 134431501) is 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole?
The canonical SMILES for 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccccc7)cc6)n5)c34)cc21.
What is the InChIKey of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole?
The InChIKey is RBIKWNWMORSFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N4/c1-59(2)49-27-14-15-28-53(49)62(45-22-10-5-11-23-45)54-35-34-44(37-50(54)59)47-25-16-26-48-56-46-24-13-12-19-41(46)33-36-55(56)63(57(47)48)58-60-51(42-20-8-4-9-21-42)38-52(61-58)43-31-29-40(30-32-43)39-17-6-3-7-18-39/h3-38H,1-2H3.
What are the key properties of 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole?
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole has a molecular weight of 807.01 g/mol, XLogP of 15.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 134431501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).