11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole

C53H38N4 — CID 134431640

IUPAC11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C53H38N4/c1-53(2)42-26-14-15-27-46(42)56(39-22-10-5-11-23-39)49-33-38(29-31-43(49)53)41-25-16-28-47-51(41)50-40-24-13-12-17-35(40)30-32-48(50)57(47)52-54-44(36-18-6-3-7-19-36)34-45(55-52)37-20-8-4-9-21-37/h3-34H,1-2H3
InChIKeyQPUIYCOAYKNAGU-UHFFFAOYSA-N
MW730.92 g/mol
LogP13.84
Rot. Bonds5

About 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole

11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole (PubChem CID 134431640) has the molecular formula C53H38N4 and a molecular weight of 730.92 g/mol. Its IUPAC name is 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
PubChem CID134431640
Molecular FormulaC53H38N4
Molecular Weight730.92 g/mol
Exact Mass730.31
IUPAC Name11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C53H38N4/c1-53(2)42-26-14-15-27-46(42)56(39-22-10-5-11-23-39)49-33-38(29-31-43(49)53)41-25-16-28-47-51(41)50-40-24-13-12-17-35(40)30-32-48(50)57(47)52-54-44(36-18-6-3-7-19-36)34-45(55-52)37-20-8-4-9-21-37/h3-34H,1-2H3
InChIKeyQPUIYCOAYKNAGU-UHFFFAOYSA-N
XLogP13.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
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
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 134431940
23-(4,6-diphenylpyrimidin-2-yl)-17-(9-phenylcarbazol-3-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5(22),6(15),7,9,11,13,16,18,20-undecaene
CID 177279630
7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
CID 131998839
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
CID 134432123
N-[(1Z)-1-[3-[11-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazol-7-yl]phenyl]-3-(4-phenylphenyl)buta-1,3-dienyl]-1-phenylprop-2-en-1-imine
CID 134431639
12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[6-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163851259
10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431562

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
The IUPAC name of 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole (CID 134431640) is 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
The canonical SMILES for 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
The InChIKey is QPUIYCOAYKNAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4/c1-53(2)42-26-14-15-27-46(42)56(39-22-10-5-11-23-39)49-33-38(29-31-43(49)53)41-25-16-28-47-51(41)50-40-24-13-12-17-35(40)30-32-48(50)57(47)52-54-44(36-18-6-3-7-19-36)34-45(55-52)37-20-8-4-9-21-37/h3-34H,1-2H3.
What are the key properties of 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole has a molecular weight of 730.92 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 134431640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).