7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine

C62H47N3 — CID 145110372

IUPAC7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine
SMILESCC1(C)C2=C(C=CC(c3ccccc3)C2)N(c2ccc(-c3ccccn3)cc2)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc5c6ccccc6n(-c6ccccc6)c45)cc3)cc21
InChIInChI=1S/C62H47N3/c1-62(2)55-40-47(42-16-6-3-7-17-42)31-35-59(55)64(51-33-29-46(30-34-51)57-23-14-15-37-63-57)60-36-32-48(41-56(60)62)44-25-27-45(28-26-44)53-38-49(43-18-8-4-9-19-43)39-54-52-22-12-13-24-58(52)65(61(53)54)50-20-10-5-11-21-50/h3-39,41,47H,40H2,1-2H3
InChIKeyOOIYQGCAERCMPF-UHFFFAOYSA-N
MW834.08 g/mol
LogP16.27
Rot. Bonds7

About 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine

7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine (PubChem CID 145110372) has the molecular formula C62H47N3 and a molecular weight of 834.08 g/mol. Its IUPAC name is 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine.

Molecular Properties

Compound Name7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine
PubChem CID145110372
Molecular FormulaC62H47N3
Molecular Weight834.08 g/mol
Exact Mass833.38
IUPAC Name7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine
SMILESCC1(C)C2=C(C=CC(c3ccccc3)C2)N(c2ccc(-c3ccccn3)cc2)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc5c6ccccc6n(-c6ccccc6)c45)cc3)cc21
InChIInChI=1S/C62H47N3/c1-62(2)55-40-47(42-16-6-3-7-17-42)31-35-59(55)64(51-33-29-46(30-34-51)57-23-14-15-37-63-57)60-36-32-48(41-56(60)62)44-25-27-45(28-26-44)53-38-49(43-18-8-4-9-19-43)39-54-52-22-12-13-24-58(52)65(61(53)54)50-20-10-5-11-21-50/h3-39,41,47H,40H2,1-2H3
InChIKeyOOIYQGCAERCMPF-UHFFFAOYSA-N
XLogP16.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.08
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 145110266
N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
CID 145110624
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine
CID 163733291
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
3-[9-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenyl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole
CID 159697484
10-[3-[4-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 170682872

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine?
The IUPAC name of 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine (CID 145110372) is 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine.
What is the SMILES notation for 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine?
The canonical SMILES for 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine is CC1(C)C2=C(C=CC(c3ccccc3)C2)N(c2ccc(-c3ccccn3)cc2)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc5c6ccccc6n(-c6ccccc6)c45)cc3)cc21.
What is the InChIKey of 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine?
The InChIKey is OOIYQGCAERCMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N3/c1-62(2)55-40-47(42-16-6-3-7-17-42)31-35-59(55)64(51-33-29-46(30-34-51)57-23-14-15-37-63-57)60-36-32-48(41-56(60)62)44-25-27-45(28-26-44)53-38-49(43-18-8-4-9-19-43)39-54-52-22-12-13-24-58(52)65(61(53)54)50-20-10-5-11-21-50/h3-39,41,47H,40H2,1-2H3.
What are the key properties of 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine?
7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine has a molecular weight of 834.08 g/mol, XLogP of 16.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine is sourced from PubChem (CID 145110372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).