9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole

C55H40N4 — CID 134431357

IUPAC9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)c6c(n5)C5C=CC=CC5C=C6)c4c3)cc21
InChIInChI=1S/C55H40N4/c1-55(2)45-23-13-14-24-47(45)58(40-19-7-4-8-20-40)48-31-28-38(33-46(48)55)39-26-29-43-50(34-39)59(49-32-27-35-15-9-11-21-41(35)51(43)49)54-56-52(37-17-5-3-6-18-37)44-30-25-36-16-10-12-22-42(36)53(44)57-54/h3-34,36,42H,1-2H3
InChIKeyWAARQKIBEPYLTF-UHFFFAOYSA-N
MW756.95 g/mol
LogP14.02
Rot. Bonds4

About 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole

9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole (PubChem CID 134431357) has the molecular formula C55H40N4 and a molecular weight of 756.95 g/mol. Its IUPAC name is 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole
PubChem CID134431357
Molecular FormulaC55H40N4
Molecular Weight756.95 g/mol
Exact Mass756.33
IUPAC Name9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)c6c(n5)C5C=CC=CC5C=C6)c4c3)cc21
InChIInChI=1S/C55H40N4/c1-55(2)45-23-13-14-24-47(45)58(40-19-7-4-8-20-40)48-31-28-38(33-46(48)55)39-26-29-43-50(34-39)59(49-32-27-35-15-9-11-21-41(35)51(43)49)54-56-52(37-17-5-3-6-18-37)44-30-25-36-16-10-12-22-42(36)53(44)57-54/h3-34,36,42H,1-2H3
InChIKeyWAARQKIBEPYLTF-UHFFFAOYSA-N
XLogP14.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 134431940
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
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-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
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-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole
CID 134431946
10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 134431640
7-(5,5-dimethyl-4,6-diphenylcyclopenta[d]pyrimidin-2-yl)-10-(7-phenyl-4a,11c-dihydrobenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 145381024
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431717

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole?
The IUPAC name of 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole (CID 134431357) is 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole?
The canonical SMILES for 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)c6c(n5)C5C=CC=CC5C=C6)c4c3)cc21.
What is the InChIKey of 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole?
The InChIKey is WAARQKIBEPYLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4/c1-55(2)45-23-13-14-24-47(45)58(40-19-7-4-8-20-40)48-31-28-38(33-46(48)55)39-26-29-43-50(34-39)59(49-32-27-35-15-9-11-21-41(35)51(43)49)54-56-52(37-17-5-3-6-18-37)44-30-25-36-16-10-12-22-42(36)53(44)57-54/h3-34,36,42H,1-2H3.
What are the key properties of 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole?
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole has a molecular weight of 756.95 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 134431357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).