11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

C57H40N4 — CID 134431604

IUPAC11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)cc21
InChIInChI=1S/C57H40N4/c1-57(2)46-24-12-14-26-49(46)60(42-19-7-4-8-20-42)50-34-33-41(36-47(50)57)44-23-15-27-51-54(44)53-43-21-10-9-18-39(43)32-35-52(53)61(51)56-58-48-25-13-11-22-45(48)55(59-56)40-30-28-38(29-31-40)37-16-5-3-6-17-37/h3-36H,1-2H3
InChIKeyNSMXENZXSCVDBJ-UHFFFAOYSA-N
MW780.98 g/mol
LogP14.99
Rot. Bonds5

About 11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 134431604) has the molecular formula C57H40N4 and a molecular weight of 780.98 g/mol. Its IUPAC name is 11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID134431604
Molecular FormulaC57H40N4
Molecular Weight780.98 g/mol
Exact Mass780.33
IUPAC Name11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)cc21
InChIInChI=1S/C57H40N4/c1-57(2)46-24-12-14-26-49(46)60(42-19-7-4-8-20-42)50-34-33-41(36-47(50)57)44-23-15-27-51-54(44)53-43-21-10-9-18-39(43)32-35-52(53)61(51)56-58-48-25-13-11-22-45(48)55(59-56)40-30-28-38(29-31-40)37-16-5-3-6-17-37/h3-36H,1-2H3
InChIKeyNSMXENZXSCVDBJ-UHFFFAOYSA-N
XLogP14.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.98
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
CID 134432123
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 134431497
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 142324457
10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431487
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-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 134431940
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (CID 134431604) is 11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)cc21.
What is the InChIKey of 11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is NSMXENZXSCVDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4/c1-57(2)46-24-12-14-26-49(46)60(42-19-7-4-8-20-42)50-34-33-41(36-47(50)57)44-23-15-27-51-54(44)53-43-21-10-9-18-39(43)32-35-52(53)61(51)56-58-48-25-13-11-22-45(48)55(59-56)40-30-28-38(29-31-40)37-16-5-3-6-17-37/h3-36H,1-2H3.
What are the key properties of 11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 780.98 g/mol, XLogP of 14.99, 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-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 134431604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).