10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine

C42H32N2 — CID 118472939

IUPAC10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C42H32N2/c1-42(2)36-19-11-12-20-39(36)44(40-24-23-34(26-37(40)42)33-22-21-30-15-9-10-18-32(30)25-33)41-28-35(29-13-5-3-6-14-29)27-38(43-41)31-16-7-4-8-17-31/h3-28H,1-2H3
InChIKeyLWRWFLIBLWCQIT-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.34
Rot. Bonds4

About 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine

10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine (PubChem CID 118472939) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine.

Molecular Properties

Compound Name10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine
PubChem CID118472939
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C42H32N2/c1-42(2)36-19-11-12-20-39(36)44(40-24-23-34(26-37(40)42)33-22-21-30-15-9-10-18-32(30)25-33)41-28-35(29-13-5-3-6-14-29)27-38(43-41)31-16-7-4-8-17-31/h3-28H,1-2H3
InChIKeyLWRWFLIBLWCQIT-UHFFFAOYSA-N
XLogP11.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[4-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330350
8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330332
10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
CID 59399668
9,9-dimethyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)acridine
CID 118472936
8,8,14,14-tetramethyl-5,17-diphenyl-11-[4-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330364
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179
10-[4-[6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylacridine
CID 121380931
4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
CID 89183043
3,10-bis(9,9-dimethylacridin-10-yl)-15-(4,6-diphenyl-2-pyridinyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene
CID 90089331
8,8,14,14,22,22-hexamethyl-5,11-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70892958
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine?
The IUPAC name of 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine (CID 118472939) is 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine.
What is the SMILES notation for 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine?
The canonical SMILES for 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine is CC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine?
The InChIKey is LWRWFLIBLWCQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-42(2)36-19-11-12-20-39(36)44(40-24-23-34(26-37(40)42)33-22-21-30-15-9-10-18-32(30)25-33)41-28-35(29-13-5-3-6-14-29)27-38(43-41)31-16-7-4-8-17-31/h3-28H,1-2H3.
What are the key properties of 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine?
10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine has a molecular weight of 564.73 g/mol, XLogP of 11.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine is sourced from PubChem (CID 118472939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).