8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole

C54H41N3 — CID 134431434

IUPAC8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)C2=CC(c3cccc4c5c6ccccc6ccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c34)=CCC21
InChIInChI=1S/C54H41N3/c1-54(2)45-27-14-15-28-48(45)56(41-22-10-5-11-23-41)50-34-39(29-31-46(50)54)43-25-16-26-44-52-42-24-13-12-19-37(42)30-32-49(52)57(53(43)44)51-35-40(36-17-6-3-7-18-36)33-47(55-51)38-20-8-4-9-21-38/h3-30,32-35,46H,31H2,1-2H3
InChIKeyDHCQIOSPTYXENP-UHFFFAOYSA-N
MW731.94 g/mol
LogP14.08
Rot. Bonds5

About 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole

8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole (PubChem CID 134431434) has the molecular formula C54H41N3 and a molecular weight of 731.94 g/mol. Its IUPAC name is 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole.

Molecular Properties

Compound Name8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole
PubChem CID134431434
Molecular FormulaC54H41N3
Molecular Weight731.94 g/mol
Exact Mass731.33
IUPAC Name8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)C2=CC(c3cccc4c5c6ccccc6ccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c34)=CCC21
InChIInChI=1S/C54H41N3/c1-54(2)45-27-14-15-28-48(45)56(41-22-10-5-11-23-41)50-34-39(29-31-46(50)54)43-25-16-26-44-52-42-24-13-12-19-37(42)30-32-49(52)57(53(43)44)51-35-40(36-17-6-3-7-18-36)33-47(55-51)38-20-8-4-9-21-38/h3-30,32-35,46H,31H2,1-2H3
InChIKeyDHCQIOSPTYXENP-UHFFFAOYSA-N
XLogP14.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-11-(4-naphthalen-2-yl-6-phenyl-2-pyridinyl)-11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 121322472
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-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
8-(10-cyclohexa-1,5-dien-1-yl-9,9-dimethylacridin-3-yl)-7-(2,6-diphenylpyrimidin-4-yl)benzo[c]carbazole
CID 134431433
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 134431640
CID 134551933
CID 134551933
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
CID 118104042
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-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine
CID 118472939
12-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-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 122550981

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole?
The IUPAC name of 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole (CID 134431434) is 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole.
What is the SMILES notation for 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole?
The canonical SMILES for 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)C2=CC(c3cccc4c5c6ccccc6ccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c34)=CCC21.
What is the InChIKey of 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole?
The InChIKey is DHCQIOSPTYXENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N3/c1-54(2)45-27-14-15-28-48(45)56(41-22-10-5-11-23-41)50-34-39(29-31-46(50)54)43-25-16-26-44-52-42-24-13-12-19-37(42)30-32-49(52)57(53(43)44)51-35-40(36-17-6-3-7-18-36)33-47(55-51)38-20-8-4-9-21-38/h3-30,32-35,46H,31H2,1-2H3.
What are the key properties of 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole?
8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole has a molecular weight of 731.94 g/mol, XLogP of 14.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethyl-10-phenyl-1,9a-dihydroacridin-3-yl)-7-(4,6-diphenyl-2-pyridinyl)benzo[c]carbazole is sourced from PubChem (CID 134431434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).