10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole

C57H40N4 — CID 134431272

IUPAC10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cc21
InChIInChI=1S/C57H40N4/c1-57(2)47-22-12-14-24-51(47)61(42-18-7-4-8-19-42)52-33-29-41(36-48(52)57)40-28-32-50-46(35-40)54-44-20-10-9-15-37(44)27-34-53(54)60(50)43-30-25-39(26-31-43)56-58-49-23-13-11-21-45(49)55(59-56)38-16-5-3-6-17-38/h3-36H,1-2H3
InChIKeySPTCSBTTWRESPP-UHFFFAOYSA-N
MW780.98 g/mol
LogP14.99
Rot. Bonds5

About 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole

10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole (PubChem CID 134431272) has the molecular formula C57H40N4 and a molecular weight of 780.98 g/mol. Its IUPAC name is 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
PubChem CID134431272
Molecular FormulaC57H40N4
Molecular Weight780.98 g/mol
Exact Mass780.33
IUPAC Name10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cc21
InChIInChI=1S/C57H40N4/c1-57(2)47-22-12-14-24-51(47)61(42-18-7-4-8-19-42)52-33-29-41(36-48(52)57)40-28-32-50-46(35-40)54-44-20-10-9-15-37(44)27-34-53(54)60(50)43-30-25-39(26-31-43)56-58-49-23-13-11-21-45(49)55(59-56)38-16-5-3-6-17-38/h3-36H,1-2H3
InChIKeySPTCSBTTWRESPP-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

2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
CID 134579023
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole
CID 134431911
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 134431940
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine
CID 163970160
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-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene
CID 163982399
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-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 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole?
The IUPAC name of 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole (CID 134431272) is 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole.
What is the SMILES notation for 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole?
The canonical SMILES for 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)cc21.
What is the InChIKey of 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole?
The InChIKey is SPTCSBTTWRESPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4/c1-57(2)47-22-12-14-24-51(47)61(42-18-7-4-8-19-42)52-33-29-41(36-48(52)57)40-28-32-50-46(35-40)54-44-20-10-9-15-37(44)27-34-53(54)60(50)43-30-25-39(26-31-43)56-58-49-23-13-11-21-45(49)55(59-56)38-16-5-3-6-17-38/h3-36H,1-2H3.
What are the key properties of 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole?
10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]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 10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 134431272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).